Basic information
- CAS
6330-43-4- Standard SMILES
CCCC(=O)SC(C)(C)C- InChIKey
BVMZYBZGPGIIQF-UHFFFAOYSA-N- Molecular formula
- C8H16OS
- Average molar mass
- 160.28 g/mol
- Monoisotopic mass
- 160.0921863
Names & identifiers
- Preferred name
- S-tert-butyl butanethioate
- IUPAC
- S-tert-butyl butanethioate
- English name
- Butanethioic acid, S- (1,1-dimethylethyl) ester
- Molecular formula
- C8H16OS
- Molecular weight
- 160.28
Names & synonyms
6330-43-4S-tert-butyl butanethioateButanethioic acid, S-(1,1-dimethylethyl) esterNSC47027SCHEMBL10410053S-(tert-Butyl) butanethioate #DTXSID90979392Butyric acid, S-tert-butyl esterBVMZYBZGPGIIQF-UHFFFAOYSA-NNSC-47027Butanethioic acid,1-dimethylethyl) esterButyric acid, thio-, S-tert-butyl ester
Show more names
Thiobutyric acid S-tert-butyl esterButanethioic acid, S- (1,1-dimethylethyl) ester
Database identifiers
- CAS
6330-43-4- PubChem CID
- 240604
- DTXSID
DTXSID90979392- Nikkaji
- J125.776E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 171 · 171-178 °C
- Density
- 0.933 · 0.933±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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