Basic information
- CAS
34920-62-2- Standard SMILES
Oc1ccc(C(O)CCNCCSc2ccccc2)cc1- InChIKey
GMAPGCJANWCMIT-UHFFFAOYSA-N- Molecular formula
- C17H21NO2S
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.12930009
Names & identifiers
- Preferred name
- Benzyl alcohol, p-hydroxy-alpha-(1-((2-(phenylthio)ethyl)amino)ethyl)-
- IUPAC
- 4-[1-hydroxy-3-(2-phenylsulfanylethylamino)propyl]phenol
- English name
- p-Hydroxy-α-[1-[[2-(phenylthio)ethyl]amino]ethyl]benzyl alcohol
- Molecular formula
- C17H21NO2S
- Molecular weight
- 303.41914
Names & synonyms
BRN 229078134920-62-2p-Hydroxy-alpha-(1-((2-(phenylthio)ethyl)thio)ethyl)benzyl alcoholBenzenemethanol, 4-hydroxy-alpha-(1-((2-(phenylthio)ethyl)amino)ethyl)-BENZYL ALCOHOL, p-HYDROXY-alpha-(1-((2-(PHENYLTHIO)ETHYL)AMINO)ETHYL)-RefChem:328633DTXSID409563904-(1-HYDROXY-3-{[2-(PHENYLSULFANYL)ETHYL]AMINO}PROPYL)PHENOLp-Hydroxy-α-[1-[[2-(phenylthio)ethyl]amino]ethyl]benzyl alcohol
Database identifiers
- CAS
34920-62-2- PubChem CID
- 36989
- DTXSID
DTXSID40956390
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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