Amidinothiourea supplier | CasNO.2114-02-5

Name
Amidinothiourea
EINECS 218-308-0
CAS No. 2114-02-5
Article Data25
CAS DataBase
Density 1.73 g/cm³
Solubility 7 g/100 mL (20 °C)
Melting Point 171-173 °C(lit.)
Formula C₂H₆N₄S
Boiling Point 310.5 °C at 760 mmHg
Molecular Weight 118.162
Flash Point 141.6 °C
Transport Information UN 2811
Appearance white to off-white crystals or crystalline powder
Safety 26-37/39-24/25-23
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xi; Xn
Synonyms Thiourea,(aminoiminomethyl)- (9CI);Urea, 1-amidino-2-thio- (6CI,7CI,8CI);1-Amidino-2-thiourea;1-Amidinothiourea;2-Imino-4-thiobiuret;ASU;Amino[[amino(imino)methyl]amino]thioxomethane;Guanylthiourea;Guthimin;Gutimine;N-(Diaminomethylene)thiourea;N-Amidinothiourea;NSC 55743;Thiodicyanodiamidine;
PSA 120.01000
LogP 0.60430

Synthetic route

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With 1-methyl-pyrrolidin-2-one; hydrogen sulfide at 70 - 80℃; Substitution;	93%
With ammonium sulfide; sulfuric acid In water at 60 - 65℃; for 17h; pH=9.6; Addition;	50.5%
With hydrogen sulfide; water at 60 - 70℃;

: 37507-70-3
cyanocarboxamidine

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
Stage #1: cyanocarboxamidine With hydrogenchloride In water at 20℃; Stage #2: With ammonium hydroxide; Sodium thiosulfate pentahydrate In water at 0℃; for 1h;	80%

: 463-71-8
thiophosgene

: 17356-08-0
thiourea

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
at 100 - 110℃;

: 17356-08-0
thiourea

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With thiophosgene at 100 - 110℃;
With phosphorus pentachloride at 100℃;

: 17356-08-0
thiourea

A: 2114-02-5
amidinothiocarbamide

B: 56-03-1
BIGUANIDE

Conditions

Conditions	Yield
With phosphorus pentachloride
With thiophosgene

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

A: 2114-02-5
amidinothiocarbamide

B: 541-53-7
2,4-Dithiobiuret

Conditions

Conditions	Yield
With water at 75℃; dann auf 65-70grad unter Durchleiten eines schwachen H2S-Stroms;

: 14890-16-5, 18447-47-7, 21962-69-6
copper(II) dicyanamide

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen sulfide

: C2H5ClN4*ClH

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With sodium thiosulfate at 0 - 20℃; Yield given;

: 10026-13-8, 874483-75-7
phosphorus pentachloride

: 17356-08-0
thiourea

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
at 100℃;

: 127099-85-8, 780722-26-1
N-Cyanoguanidine

ammonium sulfide: ammonium sulfide

A: 2114-02-5
amidinothiocarbamide

B: 1147550-11-5
ammonium thiocyanate

C: 17356-08-0
thiourea

...Expand

: 7732-18-5
water

: 17356-08-0
thiourea

A: 504-66-5
dicyandiamide

B: 420-04-2
CYANAMID

C: 2114-02-5
amidinothiocarbamide

D guanidine sulfate(?): guanidine sulfate(?)

Conditions

Conditions	Yield
Einwirkung von γ-Strahlen.Irradiation;

...Expand

4.6-diimino-2-thione-tetrahydro-1.3.5-thiodiazine: 4.6-diimino-2-thione-tetrahydro-1.3.5-thiodiazine

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With mineral acids die Salze enstehen;
With organic acids die Salze enstehen;
With mineral acids die Salze enstehen;
With organic acids die Salze enstehen;

cyanogendiamidine salt: cyanogendiamidine salt

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With hydrogen sulfide; water

: 127099-85-8, 780722-26-1
dicyandiamide

: 2114-02-5
amidinothiocarbamide

Conditions

Conditions	Yield
With hydrogen sulfide In water 70-80°C;

: 127099-85-8, 780722-26-1
dicyandiamide

A: 2114-02-5
amidinothiocarbamide

B: 541-53-7
2,4-Dithiobiuret

Conditions

Conditions	Yield
With ammonium hydroxide; hydrogen sulfide In water at 80℃; for 80h;

: 2114-02-5
amidinothiocarbamide

: 67-64-1
acetone

: 81152-53-6
2-guanidino-4-chloromethyl-thiazole

Conditions

Conditions	Yield
With Oxone; lithium chloride In methanol at 60℃; for 1h; Reagent/catalyst;	98%

: 2114-02-5
amidinothiocarbamide

: 67-64-1
acetone

: 2-guanidino-4-bromomethylthiazole

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	97%

: 2114-02-5
amidinothiocarbamide

: 77-78-1
dimethyl sulfate

: 40294-42-6
C3H8N4S

Conditions

Conditions	Yield
at 30 - 40℃; Methylation;	95%

: ruthenium trichloride hydrate

: 2114-02-5
amidinothiocarbamide

: 10102-43-9
nitrogen(II) oxide

: [Ru(SC(NH2)NC(NH2)NH)(NO)Cl2(H2O)]*2H2O

Conditions

Conditions	Yield
In methanol NO and N2 passed through methanolic soln. of RuCl3*99H2O for 1 h, organic compound in methanol added; filtered, washed with methanol, dried in vacuum, elem. anal.;	95%

...Expand

: 2114-02-5
amidinothiocarbamide

: 10102-43-9
nitrogen(II) oxide

: 7646-79-9
cobalt(II) chloride

: [Co(NHC(S)NHCNH(NH2))2(NO)(H2O)]

Conditions

Conditions	Yield
With NH3 In water N2 and NO passed through CoCl2 soln. at 0°C for 30 min, aq. soln. of organic compound added at 0°C, passage of N2 and NO continued for 30 min, NH3 added, passage of N2 and NO for 8-12 h; soln. flushed with N2, filtered, washed with cold water and methanol, dried over fused CaCl2 under N2, elem. anal.;	95%

...Expand

: 2114-02-5
amidinothiocarbamide

: 3,5-diamino-1,2,4-thiadiazole hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride; dihydrogen peroxide In water at 18 - 20℃; for 1h; Cyclization;	93%

: 2114-02-5
amidinothiocarbamide

: 141-97-9
ethyl acetoacetate

: 7185-65-1
ethyl 2-(carbamimidoylamino)-4-methyl-1,3-thiazole-5-carboxylate

Conditions

Conditions	Yield
With Oxone; potassium bromide In ethanol at 80℃; for 2h;	93%

: 2114-02-5
amidinothiocarbamide

: 105-45-3
acetoacetic acid methyl ester

: methyl 2-guanidino-4-methylthiazole-5-carboxylate

Conditions

Conditions	Yield
With Oxone; sodium chloride In ethanol at 80℃; for 1h;	93%

: 2114-02-5
amidinothiocarbamide

: 99-90-1
para-bromoacetophenone

: 7120-03-8
N-(4-(4-bromophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	93%

: 2114-02-5
amidinothiocarbamide

: 585-74-0
3-Methylacetophenone

: N-(4-(3-methylphenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	93%

: 2114-02-5
amidinothiocarbamide

: 99-02-5
3'-Chloroacetophenone

: N-(4-(3-chlorophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	92%

: 2114-02-5
amidinothiocarbamide

: 93-08-3
methyl 2-naphthyl ketone

: N-(4-(2-naphthyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	92%

: 2114-02-5
amidinothiocarbamide

: 7338-94-5
1,3-diphenyl-2-propynone

: (4,6-diphenyl-2H-1,3-thiazin-2-ylidene)guanidine hydrobromide

Conditions

Conditions	Yield
With hydrogen bromide In acetic acid at 20℃; for 1h;	91%

: 2114-02-5
amidinothiocarbamide

: 403-42-9
1-(4-fluorophenyl)ethanone

: N-(4-(4-fluorophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	91%

: 2114-02-5
amidinothiocarbamide

: 32807-28-6
Methyl 4-chloroacetoacetate

: 1395069-10-9
methyl 2-(2-guanidinothiazol-4-yl)acetate hydrochloride

Conditions

Conditions	Yield
In methanol for 4h; Reflux;	90%

: 2114-02-5
amidinothiocarbamide

: 626-15-3
1,3-bis-(bromomethyl)benzene

: 1,3-bis(amidinothioureamethyl)benzene

Conditions

Conditions	Yield
In acetonitrile Reflux;	90%

: 2114-02-5
amidinothiocarbamide

: 57455-06-8
3-iodobenzylalcohol

: (3-iodo)benzyl amidinoisothiourea

Conditions

Conditions	Yield
With hydrogen bromide In water at 100℃;	90%

: 2114-02-5
amidinothiocarbamide

: 5-bromo-3-(2-chloroacetyl)-1-methoxyindole

: 2-diaminomethyleneamino-4-(5-bromo-1-methoxyindol-3-yl)thiazole

Conditions

Conditions	Yield
In methanol for 3h; Reflux;	90%

: 2114-02-5
amidinothiocarbamide

: 67-64-1
acetone

: 7120-01-6
2-guanidino-4-methylthiazole

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 3h;	90%

: 2114-02-5
amidinothiocarbamide

: 2142-63-4
1-(3-Bromophenyl)ethanone

: N-(4-(3-bromophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	90%

: 2114-02-5
amidinothiocarbamide

: 2-bromo-1-[4-(1-tricyclo[3.3.1.13,7]decyl)phenyl]ethanone

: 1-{2-[4-(1-tricyclo[3.3.1.13,7]decyl)phenyl]thiazol-4-yl}guanidine hydrobromide

Conditions

Conditions	Yield
In ethanol for 18h; Hantzsch Thiazole Synthesis; Reflux;	89%

: 2114-02-5
amidinothiocarbamide

: 70-11-1
α-bromoacetophenone

: 2507-81-5
N-(4-phenyl-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
In 1,4-dioxane for 7h; Reflux;	88%
In acetone for 4h; Heating / reflux;	87%
In ethanol at 80℃; for 4h;	87%
In methanol Heating;

: 2114-02-5
amidinothiocarbamide

: 455-36-7
1-(3-fluorophenyl)ethanone

: N-(4-(3-fluorophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 1h;	88%

: 2114-02-5
amidinothiocarbamide

: 1169703-80-3
C23H26O4

: 1233943-93-5
1-{4-(2-hydroxy-4-methoxyphenyl)-5-[4-methoxy-3,5-bis(1-methylethyl)phenyl]pyrimidin-2-yl}thiourea

Conditions

Conditions	Yield
With sodium methylate In methanol for 3.5h; Reflux;	87%

: 2114-02-5
amidinothiocarbamide

: 2-bromo-1-(2-(4-butylphenyl)-4-methylthiazol-5-yl)ethan-1-one

: 1-(2'-(4-butylphenyl)-4'-methyl-[5,5'-bithiazol]-2-yl)guanidine

Conditions

Conditions	Yield
With potassium carbonate In ethanol Reflux;	87%

: 2114-02-5
amidinothiocarbamide

: 99-91-2
para-chloroacetophenone

: 7120-02-7
N-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	87%

: 2114-02-5
amidinothiocarbamide

: 100-06-1
1-(4-methoxyphenyl)ethanone

: 91089-11-1
N-(4-(4-methoxyphenyl)-1,3-thiazol-2-yl)guanidine

Conditions

Conditions	Yield
With Oxone; sodium bromide In methanol at 60℃; for 2h;	87%

: 2114-02-5
amidinothiocarbamide

: 34283-30-2
1,2,4-thiadiazole-3,5-diamine

Conditions

Conditions	Yield
With dihydrogen peroxide In methanol Heating;	86%
With pyridine; 4-bromo-3-methyl-<1H>-pyrazolin-5-one In ethanol for 3h; Heating;	52%
With hydrogenchloride; dihydrogen peroxide

: 2114-02-5
amidinothiocarbamide

: 2973-19-5
2-hydroxy-5-nitrobenzyl chloride

: (2-hydroxy-5-nitrophenyl)methyl amidinoisothiourea hydrochloride

Conditions

Conditions	Yield
In acetonitrile at 85 - 100℃; for 0.0833333h; microwave irradiation;	86%

Amidinothiourea Specification

The Amidinothiourea, with the CAS registry number 2114-02-5 and EINECS registry number 218-308-0, has the systematic name of 1-(diaminomethylidene)thiourea. And the molecular formula of this chemical is C₂H₆N₄S. It is a kind of white to off-white crystals or crystalline powder, and belongs to the product categories of Pharmaceutical Intermediates and Famotidine. What's more, it may protect against hypoxic damage, and proposed for treatment of shock due to trauma or blood loss. And it is also stimulates paretic gastrointestinal system.

The physical properties of Amidinothiourea are as following: (1)ACD/LogP: -1.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.5; (4)ACD/LogD (pH 7.4): -1.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.88; (8)ACD/KOC (pH 7.4): 4.73; (9)#H bond acceptors: 4; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.17 Å²; (13)Index of Refraction: 1.756; (14)Molar Refractivity: 27.88 cm³; (15)Molar Volume: 67.9 cm³; (16)Polarizability: 11.05×10^-24cm³; (17)Surface Tension: 77.2 dyne/cm; (18)Density: 1.73 g/cm³; (19)Flash Point: 141.6 °C; (20)Enthalpy of Vaporization: 55.13 kJ/mol; (21)Boiling Point: 310.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000599 mmHg at 25°C.

Preparation and uses of Amidinothiourea: It can be prepared by dicyandiamine, parabenzoquinone dioxime and sulfureted hydrogen. And it is often used as intermediate of drug famotidine.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); Avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: InChI=1/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
(2)InChI: InChI=1/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
(3)InChIKey: OKGXJRGLYVRVNE-UHFFFAOYAH

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1440mg/kg (1440mg/kg)		Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 46, 1953.

Product Name

Amidinothiourea

Synthetic route

Amidinothiourea Specification

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