Basic information
- CAS
6774-43-2- Standard SMILES
OC1(c2cc3ccccc3s2)CCCCC1- InChIKey
LNKGDUAAWGRNLT-UHFFFAOYSA-N- Molecular formula
- C14H16OS
- Average molar mass
- 232.34 g/mol
- Monoisotopic mass
- 232.0921863
Names & identifiers
- Preferred name
- Cyclohexanol, 1-benzo[b]thien-2-yl-
- IUPAC
- 1-(1-benzothiophen-2-yl)cyclohexan-1-ol
Names & synonyms
6774-43-2Cyclohexanol, 1-benzo[b]thien-2-yl-1-Benzo[b]thien-2-ylcyclohexanol1-(Benzo[b]thiophen-2-yl)cyclohexanol1-(1-benzothiophen-2-yl)cyclohexan-1-olNSC708084CHEMBL340585DTXSID80327964LNKGDUAAWGRNLT-UHFFFAOYSA-NMFCD305827551-(1-Benzothien-2-yl)cyclohexanol #NSC-708084
Show more names
NCI60_038331Thianaphthene, 2-[1-hydroxy-1-cyclohexyl]-Thionaphthene, 2-[1-hydroxy-1-cyclohexyl]-H79942
Database identifiers
- CAS
6774-43-2- PubChem CID
- 398367
- DTXSID
DTXSID80327964- ChEMBL
CHEMBL340585
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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