s-Butyl 2-methylbutanethioate
Basic information
- CAS
88525-36-4- Standard SMILES
CCCCSC(=O)C(C)CC- InChIKey
HDPMBIQINHAMLO-UHFFFAOYSA-N- Molecular formula
- C9H18OS
- Average molar mass
- 174.31 g/mol
- Monoisotopic mass
- 174.10783637
Names & identifiers
- Preferred name
- s-Butyl 2-methylbutanethioate
- IUPAC
- S-butyl 2-methylbutanethioate
Names & synonyms
88525-36-4s-butyl 2-methylbutanethioateSCHEMBL1130268DTXSID40531000
Database identifiers
- CAS
88525-36-4- PubChem CID
- 13237656
- DTXSID
DTXSID40531000
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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