Basic information
- CAS
61173-87-3- Standard SMILES
CCC(Sc1ccccc1)(Sc1ccccc1)C(C)O- InChIKey
VTNBFKNOJBPXSL-UHFFFAOYSA-N- Molecular formula
- C17H20OS2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.0955576
Names & identifiers
- Preferred name
- 2-Pentanol, 3,3-bis(phenylthio)-
- IUPAC
- 3,3-bis(phenylsulfanyl)pentan-2-ol
Names & synonyms
2-Pentanol, 3,3-bis(phenylthio)-61173-87-3DTXSID50486219RefChem:264978DTXCID504370293,3-BIS(PHENYLSULFANYL)PENTAN-2-OL
Database identifiers
- CAS
61173-87-3- PubChem CID
- 12299359
- DTXSID
DTXSID50486219
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…