[(2,3-Dimethyl-Phenylcarbamoyl)-Methylsulfanyl]-Acetic Acid
[CAS# 412922-07-7]

Identification

• Name: [(2,3-Dimethyl-Phenylcarbamoyl)-Methylsulfanyl]-Acetic Acid
• Molecular Formula: C₁₂H₁₄NO₃S
• Molecular Weight: 252.31
• CAS Registry Number: 412922-07-7
• SMILES: C1=C(NC(=O)CSCC([O-])=O)C(=C(C=C1)C)C
• InChI: 1S/C12H15NO3S/c1-8-4-3-5-10(9(8)2)13-11(14)6-17-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)/p-1
• InChIKey: STMRHQUTOWIYMC-UHFFFAOYSA-M

Properties

• Boiling point: 465.49°C at 760 mmHg (Cal.)
• Flash point: 235.32°C (Cal.)