S-(1-Methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl) ethanethioate

Base Information

• Chemical Name: S-(1-Methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl) ethanethioate
• CAS No.: 57074-35-8
• Molecular Formula: C12H18 O2 S
• Molecular Weight: 226.33512
• European Community (EC) Number: 260-547-8
• DSSTox Substance ID: DTXSID10972547
• Nikkaji Number: J349.078E

Synonyms:57074-35-8;EINECS 260-547-8;S-(1-Methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl) ethanethioate;S-[1-METHYL-1-(4-METHYL-2-OXO-3-CYCLOHEXEN-1-YL)ETHYL] ETHANETHIOATE;s-[2-(4-methyl-2-oxocyclohex-3-en-1-yl)propan-2-yl] ethanethioate;DTXSID10972547;Ethanethioic acid, S-[1-methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl] ester;Thioacetic acid S-[1-methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl] ester

Chemical Property of S-(1-Methyl-1-(4-methyl-2-oxo-3-cyclohexen-1-yl)ethyl) ethanethioate

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Boiling Point: 332.2°Cat760mmHg
• Flash Point: 136°C
• PSA: 59.44000
• Density: 1.087g/cm³
• LogP: 2.97010
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 226.10275099
• Heavy Atom Count: 15
• Complexity: 316

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=O)C(CC1)C(C)(C)SC(=O)C

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