Basic information
- CAS
56772-89-5- Standard SMILES
CCCCCCC=C(SC)SC- InChIKey
OXQBHBWAAJFQRQ-UHFFFAOYSA-N- Molecular formula
- C10H20S2
- Average molar mass
- 204.4 g/mol
- Monoisotopic mass
- 204.10064299
Names & identifiers
- Preferred name
- 1-Octene, 1,1-bis(methylthio)-
- IUPAC
- 1,1-bis(methylsulfanyl)oct-1-ene
Names & synonyms
1-Octene, 1,1-bis(methylthio)-56772-89-5DTXSID80403156RefChem:232563DTXCID003540101,1-bis(methylsulfanyl)oct-1-eneAKOS024340625
Database identifiers
- CAS
56772-89-5- PubChem CID
- 4425596
- DTXSID
DTXSID80403156
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 113
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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