2-Iminothiolane hydrochloride supplier

Name
2-IMINOTHIOLANE
EINECS 800-330-2
CAS No. 4781-83-3
Article Data1
CAS DataBase
Density 1.27 g/cm³
Solubility Freely soluble in water
Melting Point 198-201 °C(lit.)
Formula C₄H₇NS^.HCl
Boiling Point 188.5 °C at 760 mmHg
Molecular Weight 137.633
Flash Point 67.8 °C
Transport Information
Appearance White Crystalline Solid
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2(3H)-Thiophenimine,dihydro-, hydrochloride (7CI,8CI,9CI);2-Iminothiolane hydrochloride;Traut'sreagent;
PSA 49.15000
LogP 2.39240

Synthetic route

: 4781-82-2
S-3-cyanopropyl thioacetate

: 4781-83-3
2-iminothiolane hydrochloride

Conditions

Conditions	Yield
With chloro-trimethyl-silane In methanol at 65℃; for 18h; Inert atmosphere;	45%

: 23214-92-8
doxorubicin

: 4781-83-3
2-iminothiolane hydrochloride

: doxorubicin

Conditions

Conditions	Yield
With triethylamine In methanol at 20℃; for 7h;	70%
for 48h; Inert atmosphere; Darkness;
With triethylamine In methanol for 7h; pH=8.5;

: 7284-37-9
D-glucopyranosyl amine

: 1631-26-1
1-benzyl-1H-pyrrole-2,5-dione

: 4781-83-3
2-iminothiolane hydrochloride

: 4-(1-Benzyl-2,5-dioxo-pyrrolidin-3-ylsulfanyl)-N-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-butyramidine; hydrochloride

Conditions

Conditions	Yield
In pyridine at 0℃; for 4.5h;	69%

...Expand

: 4781-83-3
2-iminothiolane hydrochloride

: 113231-05-3
N,N-bis(carboxymethyl)-L-lysine

: 1447926-92-2
C14H25N3O6S*ClH

Conditions

Conditions	Yield
Stage #1: 2-iminothiolane hydrochloride; N,N-bis(carboxymethyl)-L-lysine With sodium hydrogencarbonate In water at 72℃; for 15h; Stage #2: With hydrogenchloride In water pH=3;	64%

: 2127-03-9
2,2'-dipyridyldisulphide

: 4781-83-3
2-iminothiolane hydrochloride

: 123628-75-1
3β-cholest-5-en-3-yl N-(2-aminoethyl)carbamate

: 300711-57-3
cholest-5-en-3β-yl N-[2-[[1-imino-4-(2-pyridinyldithio)butyl]amino]ethyl] carbamate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 20℃;	62%

...Expand

: 1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-[amino(polyethylene glycol)2000] ammonium salt

: 4781-83-3
2-iminothiolane hydrochloride

: C136H270N3O54PS*ClH*H3N

Conditions

Conditions	Yield
In methanol; chloroform at 20℃; for 2h;	60%

: 4781-83-3
2-iminothiolane hydrochloride

: 62-31-7
dopamine hydrochloride

A: N-(3,4-dihydroxyphenethyl)-4-mercaptobutanimidamide

B: C16H25N3O2S2

Conditions

Conditions	Yield
With sodium carbonate In water at 70℃; for 15h; pH=8 - 9; Inert atmosphere;	A 56% B n/a

...Expand

: 6318-23-6
1-amino-1-deoxy-β-D-galactose

: 1631-26-1
1-benzyl-1H-pyrrole-2,5-dione

: 4781-83-3
2-iminothiolane hydrochloride

: 4-(1-Benzyl-2,5-dioxo-pyrrolidin-3-ylsulfanyl)-N-((2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-butyramidine; hydrochloride

Conditions

Conditions	Yield
In pyridine at 0℃; for 4.5h;	55%

...Expand

: 124-22-1
n-Dodecylamine

: 4781-83-3
2-iminothiolane hydrochloride

: N-dodecyl-4-mercaptobutanimidamide

Conditions

Conditions	Yield
With triethylamine In methanol; acetonitrile at 20℃; for 4h;	55%

: 4781-83-3
2-iminothiolane hydrochloride

: 2265-22-7
Dexamethasone 21-mesylate

: 155773-72-1
N,N,N',N'-tetrakis[2-(2-aminoethylaminocarbonyl)ethyl]ethylenediamine

: C48H82FN11O8S

Conditions

Conditions	Yield
In dimethyl sulfoxide at 20℃; for 16h;	30%

...Expand

: 375-22-4
heptafluorobutyric Acid

: 4781-83-3
2-iminothiolane hydrochloride

: 4146-30-9, 25389-98-4, 28002-70-2, 34289-38-8, 92283-95-9
neomycin B trisulfate

: C27H52N6O14S*5C4HF7O2

Conditions

Conditions	Yield
Stage #1: neomycin B trisulfate With 5′-GGACUGGGCGAGAAGUUUAGUCC-3′ In aq. phosphate buffer at 20℃; for 0.5h; Stage #2: 2-iminothiolane hydrochloride In aq. phosphate buffer; N,N-dimethyl-formamide at 20℃; for 24h; Stage #3: heptafluorobutyric Acid regioselective reaction; Further stages;	30%

...Expand

: 4781-83-3
2-iminothiolane hydrochloride

human serum albumin: human serum albumin

thiolated human serum albumin: thiolated human serum albumin

Conditions

Conditions	Yield
With sodium borate; ethylenediaminetetraacetic acid at 20℃; for 1h; pH=8.0; Substitution;

: 4781-83-3
2-iminothiolane hydrochloride

subtilisin Carlsberg: subtilisin Carlsberg

subtilisin Carlsberg, modified in N-terminal with 2-iminothiolane hydrochloride: subtilisin Carlsberg, modified in N-terminal with 2-iminothiolane hydrochloride

Conditions

Conditions	Yield
In various solvent(s) at 25℃; for 0.833333h; pH=8.0;

: 4781-83-3
2-iminothiolane hydrochloride

Me-(OCH2CH2)m-NH-[(L)-CO-CH(CH2CH2CH2CH2NH2)-NH]n-H: Me-(OCH2CH2)m-NH-[(L)-CO-CH(CH2CH2CH2CH2NH2)-NH]n-H

Me-(OCH2CH2)m-NH-[(L)-CO-CH(CH2CH2CH2CH2CH2-NH2)-NH]n-H, ω-amino-groups partially acylated with 4-thioiminobutyric acid: Me-(OCH2CH2)m-NH-[(L)-CO-CH(CH2CH2CH2CH2CH2-NH2)-NH]n-H, ω-amino-groups partially acylated with 4-thioiminobutyric acid

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; lithium chloride In 1-methyl-pyrrolidin-2-one at 20℃; for 24h;

: 23-demycinosyl-23-deoxy-23-(3-aminoprop-1-yl)aminotilmicosin

: 4781-83-3
2-iminothiolane hydrochloride

: C45H81N5O8S*ClH

Conditions

Conditions	Yield
With sodium azide; ethylenediaminetetraacetic acid; sodium chloride In phosphate buffer; dimethyl sulfoxide for 1h; pH=7.2;

: (Sa)-(3S,6R,7R,22R,23S,26S,36R,38aR)-44-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-D-lyxo-hexopyranosyl)-D-glucopyranosyl]oxy}-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-[(2R)-4-methyl-2-(methylamino)valeramido]-2,5,24,38,39-pentaoxo-22H-8,11:18,21-dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9] oxadiazacyclohexadecino[4,5-m][10,2,16]-benzoxadiazacyclotetracosine-26-carboxylic acid monohydrochloride

: 4781-83-3
2-iminothiolane hydrochloride

: C70H82Cl2N10O24S

Conditions

Conditions	Yield
With triethylamine In water at 20℃; for 2h;

chitosan, molecular mass 400 kDa: chitosan, molecular mass 400 kDa

: 4781-83-3
2-iminothiolane hydrochloride

chitosan-iminothiolane conjugate: chitosan-iminothiolane conjugate

Conditions

Conditions	Yield
at 20℃; for 6h; pH=6;

chitosan, MM = 400 kDa: chitosan, MM = 400 kDa

: 4781-83-3
2-iminothiolane hydrochloride

chitosan-4-thiobutylamidine conjugate: chitosan-4-thiobutylamidine conjugate

Conditions

Conditions	Yield
With sodium hydroxide In water; acetic acid at 20℃; for 24h; pH=6.5;

: 4781-83-3
2-iminothiolane hydrochloride

chitosan: chitosan

chitosan-4-thiobutylamidine conjugate: chitosan-4-thiobutylamidine conjugate

Conditions

Conditions	Yield
With sodium hydroxide In acetic acid at 20℃; for 24h; pH=6.5;

5-(2-aminoethylsulfonyl)pentyl (α-L-idopyranosyluronate)-(1->4)-(2-amino-2-deoxy-α-D-glucopyranoside)-(1->4)-(β-D-glucopyranosyluronate)-(1->4)-N-acetyl-2-amino-2-deoxy-α-D-glucopyranoside: 5-(2-aminoethylsulfonyl)pentyl (α-L-idopyranosyluronate)-(1->4)-(2-amino-2-deoxy-α-D-glucopyranoside)-(1->4)-(β-D-glucopyranosyluronate)-(1->4)-N-acetyl-2-amino-2-deoxy-α-D-glucopyranoside

: 4781-83-3
2-iminothiolane hydrochloride

: C37H64N4O24S2

chitosan, medium molecular mass: 400 kDa: chitosan, medium molecular mass: 400 kDa

: 4781-83-3
2-iminothiolane hydrochloride

chitosan-4-thiobutylamidine conjugate, content of thiol groups: 304.9 μmol/g, fraction of oxidized thiol groups: 6.5%: chitosan-4-thiobutylamidine conjugate, content of thiol groups: 304.9 μmol/g, fraction of oxidized thiol groups: 6.5%

Conditions

Conditions	Yield
In sodium hydroxide; acetic acid at 20℃; for 14h; pH=6.5;

: 4781-83-3
2-iminothiolane hydrochloride

poly-L-lysine: poly-L-lysine

PLL(SH)n: PLL(SH)n

Conditions

Conditions	Yield
In water at 20℃; for 0.75h; Aqueous borate buffer;

: 4781-83-3
2-iminothiolane hydrochloride

: 123-30-8
4-amino-phenol

: 62850-53-7
2(4-Hydroxyphenyl)imino-1,3-dithiolane

Conditions

Conditions	Yield
With potassium hydroxide In ethanol

: 4781-83-3
2-iminothiolane hydrochloride

: 78619-84-8
4,4'-bipiperidine dihydrochloride

: 1470026-61-9
C18H34N4S2

Conditions

Conditions	Yield
With triethylamine In water at 20℃; for 2h;

: (Sa)-(3S,6R,7R,22R,23S,26S,36R,38aR)-44-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-D-lyxo-hexopyranosyl)-D-glucopyranosyl]oxy}-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-[(2R)-4-methyl-2-(methylamino)valeramido]-2,5,24,38,39-pentaoxo-22H-8,11:18,21-dietheno-23,36-(iminomethano)-13,16:31,35-dimetheno-1H,16H-[1,6,9] oxadiazacyclohexadecino[4,5-m][10,2,16]-benzoxadiazacyclotetracosine-26-carboxylic acid monohydrochloride

: 4781-83-3
2-iminothiolane hydrochloride

: C70H82Cl2N10O24S

Conditions

Conditions	Yield
With triethylamine In water at 20℃; for 2h;

: C68H81Cl2N11O23

: 4781-83-3
2-iminothiolane hydrochloride

: C72H88Cl2N12O23S

Conditions

Conditions	Yield
With triethylamine In water at 20℃; for 2h;

: 4781-83-3
2-iminothiolane hydrochloride

recombinant human serum albumin: recombinant human serum albumin

nitroso-modified recombinant human serum albumin with 2-iminothiolane as spacer, NO/HSA = 6.64 mol/mol: nitroso-modified recombinant human serum albumin with 2-iminothiolane as spacer, NO/HSA = 6.64 mol/mol

Conditions

Conditions	Yield
Stage #1: 2-iminothiolane hydrochloride; recombinant human serum albumin With diethylenetriaminopentaacetic acid In phosphate buffer at 20℃; for 1h; pH=7.8; Stage #2: With isopentyl nitrite In phosphate buffer at 20℃; for 3h; Further stages.;

: 128-53-0
N-Ethylmaleimide

: C10H25N4Pol

: 4781-83-3
2-iminothiolane hydrochloride

: 1109218-28-1
C20H40N6O2S

Conditions

Conditions	Yield
Stage #1: C10H25N4Pol; 2-iminothiolane hydrochloride In tetrahydrofuran; water for 0.0333333h; solid phase reaction; Stage #2: N-Ethylmaleimide In tetrahydrofuran; water for 1h; solid phase reaction; Stage #3: With trifluoroacetic acid In dichloromethane solid phase reaction; chemoselective reaction;

...Expand

: C10H25N4Pol

: 1109218-14-5
C16H18N4O7S

: 4781-83-3
2-iminothiolane hydrochloride

: C30H50N9O7PolS2*ClH

Conditions

Conditions	Yield
Stage #1: C10H25N4Pol; 2-iminothiolane hydrochloride In tetrahydrofuran; water for 0.0333333h; solid phase reaction; Stage #2: C16H18N4O7S In tetrahydrofuran; water for 1h; solid phase reaction; chemoselective reaction;

...Expand

: C10H25N4Pol

: C37H36N4O9

: 4781-83-3
2-iminothiolane hydrochloride

: C30H51N9O7S

Conditions

Conditions	Yield
Stage #1: C10H25N4Pol; 2-iminothiolane hydrochloride In tetrahydrofuran; water for 0.0333333h; solid phase reaction; Stage #2: C37H36N4O9 In tetrahydrofuran; water for 1h; solid phase reaction; Stage #3: With trifluoroacetic acid In dichloromethane solid phase reaction; chemoselective reaction;

...Expand

2-Iminothiolane hydrochloride Specification

The 2-Iminothiolane hydrochloride is an organic compound with the formula C₄H₇NS^.HCl. The IUPAC name of this chemical is thiolan-2-imine hydrochloride. With the CAS registry number 4781-83-3, it is also named as Dihydro-2(3H)-thiophenimine hydrochloride. The product's categories are MTS and Sulfhydryl Active Reagents; MTS & Sulfhydryl Active Reagents; Sulfur & Selenium Compounds. Besides, it is a white crystalline solid, which should be stored in a dark, dry place at temperature of 4 °C. When you are using it, do not breathe dust and avoid contact with skin and eyes.

Physical properties about 2-Iminothiolane hydrochloride are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 6; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)Polar Surface Area: 49.15 Å²; (8)Flash Point: 67.8 °C; (9)Enthalpy of Vaporization: 43.34 kJ/mol; (10)Boiling Point: 188.5 °C at 760 mmHg; (11)Vapour Pressure: 0.508 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N=C1CCCS1
(2)InChI: InChI=1/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H
(3)InChIKey: ATGUDZODTABURZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H7NS.ClH/c5-4-2-1-3-6-4;/h5H,1-3H2;1H
(5)Std. InChIKey: ATGUDZODTABURZ-UHFFFAOYSA-N

Product Name

2-IMINOTHIOLANE

Synthetic route

2-Iminothiolane hydrochloride Specification

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