1,2,2-Trimethyl-3-[(2-Oxothiolan-3-Yl)Carbamoyl]Cyclopentane-1-Carboxylic Acid
[CAS# 105441-20-1]

Identification

• Name: 1,2,2-Trimethyl-3-[(2-Oxothiolan-3-Yl)Carbamoyl]Cyclopentane-1-Carboxylic Acid
• Synonyms: 1,2,2-Trimethyl-3-[(2-Oxotetrahydrothiophen-3-Yl)Carbamoyl]Cyclopentane-1-Carboxylic Acid; 1,2,2-Trimethyl-3-[Oxo-[(2-Oxo-3-Tetrahydrothiophenyl)Amino]Methyl]-1-Cyclopentanecarboxylic Acid; 3-[(2-Ketotetrahydrothiophen-3-Yl)Carbamoyl]-1,2,2-Trimethyl-Cyclopentane-1-Carboxylic Acid
• Molecular Formula: C₁₄H₂₁NO₄S
• Molecular Weight: 299.38
• CAS Registry Number: 105441-20-1
• SMILES: CC1(C(CCC1C(=O)NC2C(SCC2)=O)(C(=O)O)C)C
• InChI: 1S/C14H21NO4S/c1-13(2)8(4-6-14(13,3)12(18)19)10(16)15-9-5-7-20-11(9)17/h8-9H,4-7H2,1-3H3,(H,15,16)(H,18,19)
• InChIKey: ATVCYNBHYNPTPC-UHFFFAOYSA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 553.494°C at 760 mmHg (Cal.)
• Flash point: 288.543°C (Cal.)