Basic information
- CAS
28606-03-3- Standard SMILES
CC1=CCC2CC1(S)C2(C)C- InChIKey
KYKXCDSVDJLHMG-UHFFFAOYSA-N- Molecular formula
- C10H16S
- Average molar mass
- 168.3 g/mol
- Monoisotopic mass
- 168.09727168
Names & identifiers
- Preferred name
- Bicyclo(3.1.1)hept-2-ene, mercapto-2,6,6-trimethyl-
- IUPAC
- 2,6,6-trimethylbicyclo[3.1.1]hept-2-ene-1-thiol
Names & synonyms
Pinenmerkaptan [Czech]PinenmerkaptanBICYCLO(3.1.1)HEPT-2-ENE, MERCAPTO-2,6,6-TRIMETHYL-28606-03-3RefChem:329306SCHEMBL15797973DTXSID309512732,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE-1-THIOL
Database identifiers
- CAS
28606-03-3- PubChem CID
- 34290
- DTXSID
DTXSID30951273
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 227
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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