Isothiobarbamin
[CAS# 96957-66-3]

Identification

• Name: Isothiobarbamin
• Synonyms: 2-(2-Diethylaminoethylsulfanyl)-6-Hydroxy-5-Isopropyl-3H-Pyrimidin-4-One Hydrochloride; 2-(2-Diethylaminoethylthio)-6-Hydroxy-5-Isopropyl-3H-Pyrimidin-4-One Hydrochloride; Mls000075876
• Molecular Formula: C₁₃H₂₄ClN₃O₂S
• Molecular Weight: 321.86
• CAS Registry Number: 96957-66-3
• SMILES: [H+].C(N(CC)CC)CSC1=NC(=C(C(C)C)C(=O)N1)O.[Cl-]
• InChI: 1S/C13H23N3O2S.ClH/c1-5-16(6-2)7-8-19-13-14-11(17)10(9(3)4)12(18)15-13;/h9H,5-8H2,1-4H3,(H2,14,15,17,18);1H
• InChIKey: OGWDLNIDTJNGDY-UHFFFAOYSA-N

Properties

• Boiling point: 423.8°C at 760 mmHg (Cal.)
• Flash point: 210.1°C (Cal.)