Basic information
- CAS
81291-61-4- Standard SMILES
CCCCSC(=O)CCCC- InChIKey
BIZKYHSPNIBTKQ-UHFFFAOYSA-N- Molecular formula
- C9H18OS
- Average molar mass
- 174.31 g/mol
- Monoisotopic mass
- 174.10783637
Names & identifiers
- Preferred name
- S-Butyl pentanethioate
- IUPAC
- S-butyl pentanethioate
Names & synonyms
S-Butyl pentanethioate81291-61-4DTXSID90512768RefChem:379512DTXCID00463575SCHEMBL26287322
Database identifiers
- CAS
81291-61-4- PubChem CID
- 12911237
- DTXSID
DTXSID90512768- Nikkaji
- J944.959K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 102
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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