1-Cyano-2-methyl-1-[2-(5-methylimidazol-4-yl-methylthio)ethyl]isothiourea , 98% , 52378-40-2

CAS NO.：52378-40-2

Empirical Formula: C10H15N5S2

Molecular Weight: 269.39

MDL number:

EINECS: 257-889-5

PRODUCT Properties

• Melting point: 148-150℃
• Boiling point: 501.5±60.0 °C(Predicted)
• Density: 1.29±0.1 g/cm3(Predicted)
• storage temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: 14.11±0.10(Predicted)
• color: Yellow
• Stability: Light Sensitive
• Major Application: pharmaceutical
• InChI: 1S/C10H15N5S2/c1-8-9(15-7-14-8)5-17-4-3-12-10(16-2)13-6-11/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
• InChIKey: WSUNDBVVUCLXTG-UHFFFAOYSA-N
• SMILES: S(CCN=C(SC)NC#N)Cc1[nH]cnc1C

Description and Uses

N-Cyano-N’-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea (Cimetidine EP Impurity A) is a Cimetidine (C441650) related impurity. Cimetidine (C441650), a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output. Also used in the preparation of histamine H2 receptor antagonists.

Safety

• Symbol(GHS): GHS07,GHS08
• Signal word: Warning
• Hazard statements: H334-H302+H312+H332-H317
• Precautionary statements: P261-P285-P304+P341-P342+P311-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids
• REACH Registrations: Active