76823-93-3

Name	3-(2-(diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
Synonyms	TPN-BASE CYANOETHYLTHIOMETHYL-2-THIAZOLYL GUANIDINE 2-[4-(2-CYANOETHYLTHIO)METHYL]THIAZOLYL GUANIDINE 3-(2-Guanidino-4-thiazolylmethulthio)propinitrile 3-(2-GUANIDINOTHIAZOL-4-YLMETHYLTHIO)PROPIONITRILE [4-[[(2-cyanoethyl)thio]methyl]-2-thiazolyl]-guanidin N-[4-[(2-CYANOETHYL)THIO]METHYL]-2THIAZOLYL]GUANIDINE (4-(((2-Cyanoethyl)thio)methyl)-2-thia-zolyl)guanidine N-[4-(2-CYANO-ETHYLSULFANYLMETHYL)-THIAZOL-2YL]-GUANIDINE 3-(2-(diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
CAS	76823-93-3
EINECS	403-710-2
InChI	InChI=1/C8H11N5S2/c9-2-1-3-15-7(13-8(10)11)6-4-14-5-12-6/h4-5,7H,1,3H2,(H4,10,11,13)

Molecular Formula	C8H11N5S2
Molar Mass	241.34
Density	1.49±0.1 g/cm3(Predicted)
Melting Point	128-132°C(lit.)
Boling Point	459.7±55.0 °C(Predicted)
Flash Point	227.4°C
Vapor Presure	2.24E-08mmHg at 25°C
pKa	8.51±0.70(Predicted)
Storage Condition	-20°C Freezer
Refractive Index	1.727
Physical and Chemical Properties	Crystalline compound. Melting point 126-128 °c (126-129 °c).

Hazard Symbols	Xn - Harmful
Risk Codes	R22 - Harmful if swallowed R43 - May cause sensitization by skin contact
Safety Description	S22 - Do not breathe dust. S24 - Avoid contact with skin. S37 - Wear suitable gloves.
WGK Germany	1

Application	3-(2-guanidino-thiazol-4-ylmethylthio)-Propionitrile can be used as an intermediate of famotidine, mainly used in pharmaceutical research and development process and chemical production process.
Use	an intermediate of famotidine.
production method	cyclization of carbazylthiourea with 1, 3-dichloroacetone, this product was prepared by forming 3-((2-guanidin-4-thiazolyl) methyl) isothiourea dihydrochloride and reacting with β-chloropropionitrile.

Last Update：2024-04-09 21:32:08

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