S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate supplier

Name
S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate
EINECS 279-540-6
CAS No. 80756-85-0
Density 1.63 g/cm³
Solubility
Melting Point 128-130 °C(lit.)
Formula C₁₃H₁₀N₄O₂S₃
Boiling Point 563.2 °C at 760 mmHg
Molecular Weight 350.446
Flash Point 294.4 °C
Transport Information
Appearance light yellow powder
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (Z)-2-[Methoxyimino]-2-(2-aminothiazol-4-yl)acetic acid S-2-benzothiazoleester;2-Amino-a-(methoxyimino)-4-thiazoleethanethioic acidS-2-benzothiazolyl ester;S-(Benzothiazol-2-yl)2-amino-a-(methoxyimino)thiazole-4-thioacetate;S-Benzothiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(syn-methoxyimino)thioacetate;
PSA 172.24000
LogP 3.58560

Synthetic route

: 533-37-9
2,3-cyclopentenopyridine

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 957-68-6
7-Aminocephalosporanic acid

: 98753-19-6
cefpirome Sulfate

Conditions

Conditions	Yield
With sulfuric acid for 0.0666667h; Time; Microwave irradiation;	99%

...Expand

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 26395-99-3
7-aminodesacetoxycephalosporanic acid

: 65052-63-3, 65052-69-9
(Z)-7-[(2-amino-4-thiazolyl-2-methoxyiminoacetylamino)]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With dmap; triethylamine In water; acetone at 20℃; for 3.5h; Time;	98.5%

: (6R,7R)-7-amino-3-[(1-methyl-1-pyrrolidinyl)methyl]-3-cephem-4-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: Cefepime dihydrochloride

Conditions

Conditions	Yield
With sulphurous acid; triethylamine In dichloromethane at 0 - 5℃; Concentration; Large scale;	98.3%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 120-78-5
di(benzothiazol-2-yl)disulfide

Conditions

Conditions	Yield
With tetrabutylammomium bromide; ozone In methanol at 44℃; for 1.5h; Concentration; Temperature; Large scale;	97.5%

: 144-83-2
sulphapyridine

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-(N-(pyridin-2-yl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	96%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 58909-56-1
7-aminoceftrizine

: 74578-69-1
ceftriaxone disodium

Conditions

Conditions	Yield
Stage #1: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate; 7-aminoceftrizine With triethylamine In methanol at -2 - 3℃; Stage #2: With sodium 2-ethylhexanoic acid In water; isopropyl alcohol at 26 - 30℃; for 2h; Product distribution / selectivity;	95.5%
With sodium metabisulfite; edetate disodium; triethylamine In ethanol; water at 1 - 3℃; for 3h; Time;	91%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 957-68-6
7-Aminocephalosporanic acid

: 63527-52-6
cefotaxime

Conditions

Conditions	Yield
With TEA In dichloromethane at 20℃; for 1h; Substitution;	95%
With triethylamine In dichloromethane at 20℃; for 1h;	95%
Stage #1: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate; 7-Aminocephalosporanic acid With triethylamine In methanol at 0 - 5℃; Stage #2: With hydrogenchloride In methanol; water at 0 - 5℃; for 1h; pH=2.3 - 2.5;
Stage #1: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate; 7-Aminocephalosporanic acid With triethylamine In 1,2-dimethoxyethane at -5 - 0℃; Stage #2: With hydrogenchloride In 1,2-dimethoxyethane; water for 1h; pH=2.6 - 2.8; Product distribution / selectivity;

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 36923-17-8
7-aminoceph-3-em-4-carboxylic acid ester

: ceftizoxime acid

Conditions

Conditions	Yield
With diethylamine In dichloromethane; butan-1-ol at -5℃; for 12h; Solvent; Reagent/catalyst; Autoclave; Large scale;	93.6%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 70458-96-7
1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinoline carboxylic acid

: 1-ethyl-6-fluoro-7-(1-(4-((Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetyl)piperazinyl))-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With triethylamine In ethanol at 20 - 25℃; Schotten-Baumann reaction;	93%

: 155723-02-7
(6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 108-18-9
diisopropylamine

: C19H18N6O5S3*C6H15N

Conditions

Conditions	Yield
Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With dmap; triethylamine In dichloromethane at 0 - 15℃; Darkness; Stage #2: diisopropylamine In dichloromethane; water; ethyl acetate	92.8%

...Expand

: 7-amino-3-[2-(4-methyl-5-thiazolyl)vinyl]-3-cephem-4-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: potassium (6R,7R)-7-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Conditions

Conditions	Yield
Stage #1: 7-amino-3-[2-(4-methyl-5-thiazolyl)vinyl]-3-cephem-4-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With triethylamine In tetrahydrofuran; water at 0 - 5℃; for 2.25 - 3.33333h; Stage #2: With potassium acetate In tetrahydrofuran; water; acetone at 20 - 25℃;	89%

: 7-MPCA

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

A: cefepime Hydrochloride

B: 149-30-4
2-Mercaptobenzothiazole

Conditions

Conditions	Yield
Stage #1: 7-MPCA With triethylamine In dichloromethane for 0.5h; Stage #2: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate In dichloromethane at 25 - 28℃; for 2h; Temperature;	A 89% B n/a

...Expand

: 85721-33-1
ciprofloxacin

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 1-cyclopropyl-6-fluoro-7-(1-(4-((Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetyl)piperazinyl))-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With triethylamine In ethanol at 20 - 25℃; Schotten-Baumann reaction;	88%

: C13H13N3O2S2

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 104145-95-1
cefditoren

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 5℃; for 4h;	85%

: 122-11-2
sulfadimethoxine

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: (Z)-2-(2-aminothiazol-4-yl)-N-(4-(N-(2,6-dimethoxypyrimidin-4-yl)sulfamoyl)phenyl)-2-(methoxyimino)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	84.6%

: 155723-02-7
(6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 104146-53-4
7-<(Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido>-3(Z)-(4-methylthiazol-5-yl)vinyl-3-cephem-4-carboxylic acid sodium salt

Conditions

Conditions	Yield
Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With sulphurous acid; triethylamine In methanol; dichloromethane at 0 - 5℃; for 4h; Darkness; Stage #2: With (+/-)-2-n-ethylpentanoic acid sodium salt In water; acetone at 20 - 25℃; for 2h; Temperature;	83.9%
Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With dmap; triethylamine In dichloromethane at 0 - 15℃; Darkness; Stage #2: With sodium isooctanoate In water; acetone	82%

Yield

Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With sulphurous acid; triethylamine In methanol; dichloromethane at 0 - 5℃; for 4h; Darkness;
Stage #2: With (+/-)-2-n-ethylpentanoic acid sodium salt In water; acetone at 20 - 25℃; for 2h; Temperature;

83.9%

Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With dmap; triethylamine In dichloromethane at 0 - 15℃; Darkness;
Stage #2: With sodium isooctanoate In water; acetone

82%

: 127-69-5
sulfisoxazole

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: (Z)-2-(2-aminothiazol-4-yl)-N-(4-(N-(3,4-dimethylisoxazol-5-yl)sulfamoyl)phenyl)-2-(methoxyimino)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	83.1%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80210-62-4
cefpodoxime

Conditions

Conditions	Yield
With triethylamine In tetrahydrofuran at -5 - 5℃; for 2h;	82.86%
With triethylamine In tetrahydrofuran at 0 - 5℃; for 2h;	82.86%
Stage #1: (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate; (6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid With triethylamine In methanol at 8 - 12℃; Stage #2: With sulfuric acid In methanol; water at 0 - 20℃; pH=2.4 - 2.5; Product distribution / selectivity;
With triethylamine In methanol; water at 15 - 20℃;	81 mg

: 155723-02-7
(6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: lithium (6R,7R)-7-[(Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetamido]-3-[(Z)-2-(4-methylthiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Conditions

Conditions	Yield
Stage #1: (6R,7R)-7-amino-3-[(1Z)-2-(4-methyl-5-thiazolyl)vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With triethylamine In dichloromethane at 0℃; Stage #2: With lithium tert-butoxide In dichloromethane; acetone for 1h;	82.1%

: 7-amino-3-[2-(4-methyl-5-thiazolyl)vinyl]-3-cephem-4-carboxylic acid

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 104146-53-4
7-<(Z)-2-(2-Aminothiazol-4-yl)-2-methoxyiminoacetamido>-3(Z)-(4-methylthiazol-5-yl)vinyl-3-cephem-4-carboxylic acid sodium salt

Conditions

Conditions	Yield
Stage #1: 7-amino-3-[2-(4-methyl-5-thiazolyl)vinyl]-3-cephem-4-carboxylic acid; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With triethylamine In tetrahydrofuran; water at 0 - 5℃; for 2.25 - 3.33333h; Stage #2: With sodium 2-ethylhexanoic acid In tetrahydrofuran; water; acetone at 20 - 25℃;	75%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 651-06-9
sulfameter

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-(N-(5-methoxypyrimidin-2-yl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	73.7%

: 113703-50-7
1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride hydrochloride

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: Cefepime dihydrochloride

Conditions

Conditions	Yield
Stage #1: 1-[((6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl]-1-methylpyrrolidinium chloride hydrochloride; (Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 3h; pH=7; Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide Solvent; Reagent/catalyst;	73%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 98105-99-8
sarafloxacin

: 1-(4-fluorobenzyl)-6-fluoro-7-(1-(4-((Z)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetyl)piperazinyl))-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid

Conditions

Conditions	Yield
With triethylamine In ethanol at 20 - 25℃; Schotten-Baumann reaction;	72%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 91687-52-4
sulfamethoxazole

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-(N-(4-methyloxazol-2-yl)sulfamoyl)phenyl)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	70.7%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 35303-76-5
4-(2-aminoethyl)benzenesulfonamide

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-sulfamoylphenethyl)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	65%

: 127-71-9
sulfabenzamide

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: (Z)-N-((4-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)phenyl)sulfonyl)benzamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	65%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 57-67-0
1-amino-4-({[amino(imino)methyl]amino}sulfonyl)benzene

: (Z)-2-(2-aminothiazol-4-yl)-N-(4-(N-carbamimidoylsulfamoyl)phenyl)-2-(methoxyimino)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	64.7%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 63-74-1
sulfanilamide

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-sulfamoylphenyl)acetamide

Conditions

Conditions	Yield
With triethylamine In ethanol at 20℃; Inert atmosphere;	63.8%

: 138-39-6
4-homosulfanilamide

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: (Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)-N-(4-sulfamoylbenzyl)acetamide

Conditions

Conditions	Yield
With pyridine; triethylamine In ethanol; dichloromethane at 20℃; Inert atmosphere;	61.5%

: 80756-85-0
(Z)-S-benzo[d]thiazol-2-yl 2-(2-aminothiazol-4-yl)-2-(methoxyimino)ethanethioate

: 135327-68-3
(6R-trans)-7-amino-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylic acid trifluoroacetic acid salt

: 135312-05-9
<6R-<6α,7β-(Z)>>-7-<<(2-amino-4-thiazolyl)(methoxyimino)acetyl>amino>-3-<<<<4-(3-carboxy-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-quinolinyl)-1-piperazinyl>carbonyl>oxy>methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-ene-2-carboxylic acid

Conditions

Conditions	Yield
With potassium hydrogencarbonate In tetrahydrofuran; water Ambient temperature;	59.8%

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Chemical Properties

Molecular structure of 4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)- (CAS NO.80756-85-0) is:

Product Name: 4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)-
CAS Registry Number: 80756-85-0
IUPAC Name: S-(1,3-benzothiazol-2-yl)(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
Molecular Weight: 350.4391 [g/mol]
Molecular Formula: C₁₃H₁₀N₄O₂S₃
XLogP3-AA: 4.1
H-Bond Donor: 1
H-Bond Acceptor: 6
EINECS: 279-540-6
Melting Point: 128-130 °C(lit.)
Surface Tension: 72.7 dyne/cm
Density: 1.63 g/cm³
Flash Point: 294.4 °C
Enthalpy of Vaporization: 84.65 kJ/mol
Boiling Point: 563.2 °C at 760 mmHg
Vapour Pressure: 1.04E-12 mmHg at 25°C
Product Categories: Cephalosporins

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intraperitoneal	570mg/kg (570mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse	LD	oral	> 5gm/kg (5000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
mouse	LD50	intraperitoneal	253mg/kg (253mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat	LD	oral	> 20gm/kg (20000mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.
rat	LD50	intraperitoneal	570mg/kg (570mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Toksikologicheskii Vestnik. Vol. (3), Pg. 37, 1996.

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Safety Profile

Safty information about 4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)- (CAS NO.80756-85-0) is:
Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 2
RTECS: XJ4664500

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Specification

4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)- , its cas register number is 80756-85-0. It also can be called (2-Mercaptobenzothiazolyl)-2-(2-aminothiazol-4-yl)-2-methoxyiminoacetate (syn) ; S-2-Benzothiazolyl (Z)-2-amino-alpha-(methoxyimino)-4-thiazoleethanethioate ; S-Benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate ; 4-Thiazoleethanethioic acid, 2-amino-alpha-(methoxyimino)-, S-2-benzothiazolyl ester, (Z)- ; S-Benzothiazol-2-yl (Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)thioacetate .It is a light yellow powder.

Product Name

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate

Synthetic route

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Chemical Properties

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Toxicity Data With Reference

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Safety Profile

S-2-Benzothiazolyl 2-amino-alpha-(methoxyimino)-4-thiazolethiolacetate Specification

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