Basic information
- CAS
55956-00-8- Standard SMILES
CCCC(S)(CC)CC- InChIKey
FHMHOOFOOBLQLZ-UHFFFAOYSA-N- Molecular formula
- C8H18S
- Average molar mass
- 146.3 g/mol
- Monoisotopic mass
- 146.11292175
Names & identifiers
- Preferred name
- 3-Hexanethiol, 3-ethyl-
- IUPAC
- 3-ethylhexane-3-thiol
- English name
- 3-Ethyl-3-hexanethiol
- Molecular formula
- C8H18S
- Molecular weight
- 146.29
Names & synonyms
3-Hexanethiol, 3-ethyl-3-ethylhexane-3-thiol3-Ethyl-3-hexanthiol55956-00-8SCHEMBL3312777SCHEMBL59323051,1-Diethylbutyl hydrosulfide #DTXSID30337891FHMHOOFOOBLQLZ-UHFFFAOYSA-N3-Ethyl-3-hexanethiol
Database identifiers
- CAS
55956-00-8- PubChem CID
- 545347
- DTXSID
DTXSID30337891- Nikkaji
- J122.117E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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