(3,5-Dimethyl-4-Methylsulfanylphenyl) N-(2-Oxopropyl)Carbamate
[CAS# 2410-09-5]

Identification

• Name: (3,5-Dimethyl-4-Methylsulfanylphenyl) N-(2-Oxopropyl)Carbamate
• Synonyms: (3,5-Dimethyl-4-Methylsulfanyl-Phenyl) N-Acetonylcarbamate; N-Acetonylcarbamic Acid [3,5-Dimethyl-4-(Methylthio)Phenyl] Ester; (3,5-Dimethyl-4-Methylsulfanyl-Phenyl) N-(2-Oxopropyl)Carbamate
• Molecular Formula: C₁₃H₁₇NO₃S
• Molecular Weight: 267.34
• CAS Registry Number: 2410-09-5
• SMILES: C1=C(OC(NCC(=O)C)=O)C=C(C(=C1C)SC)C
• InChI: 1S/C13H17NO3S/c1-8-5-11(6-9(2)12(8)18-4)17-13(16)14-7-10(3)15/h5-6H,7H2,1-4H3,(H,14,16)
• InChIKey: CCJQRCGJRGCHNT-UHFFFAOYSA-N

Properties

• Density: 1.184g/cm³ (Cal.)
• Boiling point: 376.847°C at 760 mmHg (Cal.)
• Flash point: 181.711°C (Cal.)