S-Phenyl 4-Nitrobenzenecarbothioate
[CAS# 3128-43-6]

Identification

• Name: S-Phenyl 4-Nitrobenzenecarbothioate
• Synonyms: 4-Nitrobenzenecarbothioic Acid S-Phenyl Ester; 4-Nitrothiobenzoic Acid S-Phenyl Ester; Benzenecarbothioic Acid, 4-Nitro-, S-Phenyl Ester
• Molecular Formula: C₁₃H₉NO₃S
• Molecular Weight: 259.28
• CAS Registry Number: 3128-43-6
• SMILES: C1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
• InChI: 1S/C13H9NO3S/c15-13(18-12-4-2-1-3-5-12)10-6-8-11(9-7-10)14(16)17/h1-9H
• InChIKey: OJZKFJGPRODCAB-UHFFFAOYSA-N

Properties

• Density: 1.367g/cm³ (Cal.)
• Boiling point: 412.016°C at 760 mmHg (Cal.)
• Flash point: 202.981°C (Cal.)