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76823-93-3

76823-93-3 Structure

76823-93-3 Structure
IdentificationMore
[Name]

3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile
[CAS]

76823-93-3
[Synonyms]

1-{4-[(2-Cyanoethyl)thiomethyl]thiazol-2-yl}guanidine
2-[4-(2-CYANOETHYLTHIO)METHYL]THIAZOLYL GUANIDINE
3-(2-GUANIDINOTHIAZOL-4-YLMETHYLTHIO)PROPIONITRILE
CYANOETHYLTHIOMETHYL-2-THIAZOLYL GUANIDINE
N-[4-(2-CYANO-ETHYLSULFANYLMETHYL)-THIAZOL-2YL]-GUANIDINE
N-[4-[(2-CYANOETHYL)THIO]METHYL]-2THIAZOLYL]GUANIDINE
TPN-BASE
(4-(((2-Cyanoethyl)thio)methyl)-2-thia-zolyl)guanidine
[4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-guanidin
3-(2-GUANIDINOTHIAZOL-4-YLMETHYLTHIO)PROPIOUITRILE
(4-(((2YANOETHYL)THIO)METHYL)-2-THIAZOLYL)GUANIDINE
3-((2-Guanidino-4-thiazolyl)methyl thiopropanenitrile
3-(2-GUANIDINOTHIAZOL-4-YLMETHYLTHIO)PROPIOUITRILE ,GB
4-[(2-CYANOETHYL)THIO]-2-THIAZOLYL]GUANIDINE
4-[(2-CYANOETHYL)THIO]-2-THIAZOLYL]GUANIDINEFAMOTIDINE HCL
3-(2-(diaminomethyleneamino)thiazol-4-ylmethylthio)propionitrile
[EINECS(EC#)]

403-710-2
[Molecular Formula]

C8H11N5S2
[MDL Number]

MFCD01249953
[Molecular Weight]

241.34
[MOL File]

76823-93-3.mol
Chemical PropertiesBack Directory
[Melting point ]

128-132 °C(lit.)
[Boiling point ]

459.7±55.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.51±0.70(Predicted)
[color ]

White to Beige
[InChI]

1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)
[InChIKey]

FSKYYRZENXOYAP-UHFFFAOYSA-N
[SMILES]

N\C(N)=N\c1nc(CSCCC#N)cs1
[CAS DataBase Reference]

76823-93-3(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
[Safety Statements ]

S22:Do not breathe dust .
S24:Avoid contact with skin .
S37:Wear suitable gloves .
[WGK Germany ]

1
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,3-Dichloroacetone-->Amidinothiourea
[Preparation Products]

3-(((2-GUANIDINO-4-THIAZOLYL)METHYL)THIO)PROPANIMIDC ACID METHYL ESTER-->FaMotidine AMide IMpurity
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Uses]

Famotidine intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile(76823-93-3)1HNMR
3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile(76823-93-3)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

76823-93-3(sigmaaldrich)
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