N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide

Base Information

• Chemical Name: N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide
• CAS No.: 615273-75-1
• Molecular Formula: C12H15NO3S
• Molecular Weight: 253.3174
• DSSTox Substance ID: DTXSID00387924
• ChEMBL ID: CHEMBL1529604
• Mol file: 615273-75-1.mol

Synonyms:615273-75-1;N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide;N-(1,1-dioxidotetrahydro-3-thienyl)-2-methylbenzamide;Benzamide, 2-methyl-N-(tetrahydro-1,1-dioxido-3-thienyl)- (9CI);AF-399/42100195;MLS000535523;CHEMBL1529604;SCHEMBL13162871;DTXSID00387924;HMS2337J10;AKOS001444450;AKOS016235574;SMR000142958;SR-01000265212;SR-01000265212-1;Z57240629;F1425-0688;N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-methylbenzamide

Chemical Property of N-(1,1-dioxothiolan-3-yl)-2-methylbenzamide

Chemical Property:

• PSA: 75.11000
• LogP: 2.56750
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 253.07726451
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)NC2CCS(=O)(=O)C2