1,2,2-Trimethyl-3-[(2-oxothiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

Base Information

• Chemical Name: 1,2,2-Trimethyl-3-[(2-oxothiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
• CAS No.: 105441-20-1
• Molecular Formula: C14H21 N O4 S
• Molecular Weight: 299.39
• DSSTox Substance ID: DTXSID30909537
• Mol file: 105441-20-1.mol

Synonyms:105441-20-1;CHF 1243;1,2,2-trimethyl-3-[(2-oxothiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid;Cyclopentanecarboxylic acid, 3-(((2-oxotetrahydro-3-thienyl)amino)carb onyl)-1(and 3),2,2-trimethyl-;Cyclopentanecarboxylic acid, 3-(((2-oxotetrahydro-3-thienyl)amino)carbonyl)-1(and 3),2,2-trimethyl-;SCHEMBL10510558;DTXSID30909537;ATVCYNBHYNPTPC-UHFFFAOYSA-N;3-{Hydroxy[(2-oxothiolan-3-yl)imino]methyl}-1,2,2-trimethylcyclopentane-1-carboxylic acid

Chemical Property of 1,2,2-Trimethyl-3-[(2-oxothiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.04E-13mmHg at 25°C
• Boiling Point: 553.5°Cat760mmHg
• Flash Point: 288.5°C
• PSA: 112.26000
• Density: 1.27g/cm³
• LogP: 2.50210
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 299.11912932
• Heavy Atom Count: 20
• Complexity: 462

Purity/Quality:

CYCLOPENTANECARBOXYLIC ACID, 3-(((2-OXOTETRAHYDRO-3-THIENYL)AMINO)CARB ONYL)-1(AND 3),2,2-TRIMETHYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(CCC1(C)C(=O)O)C(=O)NC2CCSC2=O)C