2-[(3-Nitrophenyl)Carbamothioylsulfanyl]Acetic Acid
[CAS# 73623-12-8]

Identification

• Name: 2-[(3-Nitrophenyl)Carbamothioylsulfanyl]Acetic Acid
• Synonyms: 2-[[[(3-Nitrophenyl)Amino]-Thioxomethyl]Thio]Acetic Acid; 2-[(3-Nitrophenyl)Thiocarbamoylthio]Acetic Acid; 2-[(3-Nitrophenyl)Carbamothioylsulfanyl]Ethanoic Acid
• Molecular Formula: C₉H₈N₂O₄S₂
• Molecular Weight: 272.29
• CAS Registry Number: 73623-12-8
• SMILES: C1=C(C=CC=C1NC(SCC(O)=O)=S)[N+](=O)[O-]
• InChI: 1S/C9H8N2O4S2/c12-8(13)5-17-9(16)10-6-2-1-3-7(4-6)11(14)15/h1-4H,5H2,(H,10,16)(H,12,13)
• InChIKey: KGUPONUIXXUQJS-UHFFFAOYSA-N

Properties

• Density: 1.627g/cm³ (Cal.)
• Boiling point: 456.298°C at 760 mmHg (Cal.)
• Flash point: 229.761°C (Cal.)