S-Benzyl 4-[(diaminomethylene)amino]benzenecarbothioate hydrochloride (1:1)
[CAS# 88142-50-1]

Identification

• Name: S-Benzyl 4-[(diaminomethylene)amino]benzenecarbothioate hydrochloride (1:1)
• Synonyms: Benzenecarbothioic acid, 4-((aminoiminomethyl)amino)-, S-(phenylmethyl) ester, monohydrochloride; Benzyl 4-guanidinothiobenzoate hydrochloride
• Molecular Formula: C₁₅H₁₆ClN₃OS
• Molecular Weight: 321.83
• CAS Registry Number: 88142-50-1
• SMILES: Cl.O=C(SCc1ccccc1)c2ccc(/N=C(\N)N)cc2
• InChI: 1S/C15H15N3OS.ClH/c16-15(17)18-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11;/h1-9H,10H2,(H4,16,17,18);1H
• InChIKey: FUUPGEBOTBQGHA-UHFFFAOYSA-N

Properties

• Boiling point: 495.6°C at 760 mmHg (Cal.)
• Flash point: 253.5°C (Cal.)