N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea CAS 52378-40-2

Introduction：Basic information about N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea CAS 52378-40-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea Basic information

• Product Name: N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea
• Synonyms: N-Cyano-S-methyl-N''-[2-(4-methyl-5-imidazolyl)-methylthioethyl]- isothioure;2-Methyl-1-cyano-3-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]isothiourea;N1-[2-[(5-Methyl-1H-imidazole-4-yl)methylthio]ethyl]-N2-cyano(methylthio)methanamidine;Einecs 257-889-5;N-Cyano-N-[2-(5-MethyliMidazole-4-Methylthio)ethyl]-S-Methyl isothiourea Monohydrate;N-Cyano-N'-[2-[(4-methyl-5-imidazolyl)methylthio]ethyl]-S-methylisothiourea;N-Cyano-N'-[2-[[(5-methyl-4-imidazolyl)methyl]thio]ethyl]-S-methylisothiourea;S-Methyl-N-cyano-N'-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethyl]isothiourea
• CAS: 52378-40-2
• MF: C10H15N5S2
• MW: 269.39
• EINECS: 257-889-5
• Mol File: 52378-40-2.mol

N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea Chemical 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

Safety Information

• WGK Germany: WGK 3
• Storage Class: 11 - Combustible Solids

N-Cyano-N-[2-(5-methylimidazole-4-methylthio)ethyl]-S-methyl isothiourea Usage And Synthesis

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.