5-Phenylsulfanylpentan-1-ol
Basic information
- CAS
57774-95-5- Standard SMILES
OCCCCCSc1ccccc1- InChIKey
MASQZKOGZUBFDT-UHFFFAOYSA-N- Molecular formula
- C11H16OS
- Average molar mass
- 196.31 g/mol
- Monoisotopic mass
- 196.0921863
Names & identifiers
- Preferred name
- 5-Phenylsulfanylpentan-1-ol
- IUPAC
- 5-phenylsulfanylpentan-1-ol
Names & synonyms
5-phenylsulfanylpentan-1-ol57774-95-5DTXSID20323440RefChem:304708DTXCID10274558NSC4040135-(PHENYLSULFANYL)PENTAN-1-OLSCHEMBL97655SCHEMBL97656AKOS011510062NSC-404013
Database identifiers
- CAS
57774-95-5- PubChem CID
- 346015
- DTXSID
DTXSID20323440- Nikkaji
- J1.461.164I
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 111
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…