4,4-Dimethylhex-5-ene-3-thiol
Basic information
- CAS
62594-10-9- Standard SMILES
C=CC(C)(C)C(S)CC- InChIKey
HVRHJCRWELHOSV-UHFFFAOYSA-N- Molecular formula
- C8H16S
- Average molar mass
- 144.28 g/mol
- Monoisotopic mass
- 144.09727168
Names & identifiers
- Preferred name
- 4,4-Dimethylhex-5-ene-3-thiol
- IUPAC
- 4,4-dimethylhex-5-ene-3-thiol
Names & synonyms
4,4-Dimethylhex-5-ene-3-thiol62594-10-9DTXSID00807091
Database identifiers
- CAS
62594-10-9- PubChem CID
- 71384841
- DTXSID
DTXSID00807091
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.7
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Compound notes
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