S-n-Butyl (phenylthio)thioacetate
Basic information
- CAS
63006-69-9- Standard SMILES
CCCCSC(=O)CSc1ccccc1- InChIKey
XCPSUCLXRBPIJL-UHFFFAOYSA-N- Molecular formula
- C12H16OS2
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.06425748
Names & identifiers
- Preferred name
- S-n-Butyl (phenylthio)thioacetate
- IUPAC
- S-butyl 2-phenylsulfanylethanethioate
Names & synonyms
S-n-Butyl (phenylthio)thioacetateS-Butyl (phenylsulfanyl)ethanethioate63006-69-9Ethanethioic acid, (phenylthio)-, S-butyl esterDTXSID30342167XCPSUCLXRBPIJL-UHFFFAOYSA-NS-Butyl (phenylsulfanyl)ethanethioate #
Database identifiers
- CAS
63006-69-9- PubChem CID
- 579205
- DTXSID
DTXSID30342167
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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