S-[2-[2-[[2-(Benzoylsulfanyl)Acetyl]Amino]Ethylamino]-2-Oxoethyl] Benzenecarbothioate
[CAS# 75948-92-4]

Identification

• Name: S-[2-[2-[[2-(Benzoylsulfanyl)Acetyl]Amino]Ethylamino]-2-Oxoethyl] Benzenecarbothioate
• Synonyms: S-[2-[2-[[2-(Benzoylsulfanyl)Acetyl]Amino]Ethylamino]-2-Oxo-Ethyl] Benzenecarbothioate; Benzenecarbothioic Acid S-[2-Oxo-2-[2-[[1-Oxo-2-[(Oxo-Phenylmethyl)Thio]Ethyl]Amino]Ethylamino]Ethyl] Ester; Thiobenzoic Acid S-[2-[2-[[2-(Benzoylthio)Acetyl]Amino]Ethylamino]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₀H₂₀N₂O₄S₂
• Molecular Weight: 416.51
• CAS Registry Number: 75948-92-4
• SMILES: C1=CC=CC=C1C(=O)SCC(=O)NCCNC(CSC(C2=CC=CC=C2)=O)=O
• InChI: 1S/C20H20N2O4S2/c23-17(13-27-19(25)15-7-3-1-4-8-15)21-11-12-22-18(24)14-28-20(26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,23)(H,22,24)
• InChIKey: KXZLSQPHRKIMBL-UHFFFAOYSA-N

Properties

• Density: 1.305g/cm³ (Cal.)
• Boiling point: 670.987°C at 760 mmHg (Cal.)
• Flash point: 359.6°C (Cal.)