3-(Butylsulfanyl)propyl acetate
Basic information
- CAS
86163-91-9- Standard SMILES
CCCCSCCCOC(C)=O- InChIKey
SVXGRPMOQRUSFN-UHFFFAOYSA-N- Molecular formula
- C9H18O2S
- Average molar mass
- 190.31 g/mol
- Monoisotopic mass
- 190.10275082
Names & identifiers
- Preferred name
- 3-(Butylsulfanyl)propyl acetate
- IUPAC
- 3-butylsulfanylpropyl acetate
Names & synonyms
86163-91-93-(butylsulfanyl)propyl acetateNSC746353-butylthiopropyl acetateNCIOpen2_000725DTXSID301006630NSC-74635
Database identifiers
- CAS
86163-91-9- PubChem CID
- 252566
- DTXSID
DTXSID301006630
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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