S-methyl 4,4,4-trifluoro-3-oxobutanethioate

Base Information

• Chemical Name: S-methyl 4,4,4-trifluoro-3-oxobutanethioate
• CAS No.: 118528-85-1
• Molecular Formula: C5H5 F3 O2 S
• Molecular Weight: 186.1522096
• European Community (EC) Number: 683-051-7
• DSSTox Substance ID: DTXSID10391411
• Nikkaji Number: J406.481J
• Wikidata: Q82188864
• Mol file: 118528-85-1.mol

Synonyms:S-methyl 4,4,4-trifluoro-3-oxobutanethioate;118528-85-1;S-METHYL 4,4,4-TRIFLUORO-3-OXOTHIO-BUTYR ATE, 98;SBB058285;SCHEMBL8465400;DTXSID10391411;AKOS006228680;S-Methyl 4,4,4-trifluoro-3-oxothiobutyrate;2-(Trifluoroacetyl)thioacetic acid S-methyl ester;s-Methyl 4,4,4-trifluoro-3-oxothio-butyr ate,98

Chemical Property of S-methyl 4,4,4-trifluoro-3-oxobutanethioate

Chemical Property:

• Refractive Index: n20/D 1.472(lit.)
• Boiling Point: 78-80 °C/73 mmHg(lit.)
• Flash Point: 49 °C
• Density: 1.352 g/mL at 25 °C(lit.)
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 185.99623506
• Heavy Atom Count: 11
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: C
• Statements: 10-34
• Safety Statements: 16-23-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC(=O)CC(=O)C(F)(F)F