Basic information
- CAS
34920-64-4- Standard SMILES
Oc1ccc(C(O)CC[NH2+]CCCSc2ccccc2)cc1.[Cl-]- InChIKey
PDPDJLXMNDIZMR-UHFFFAOYSA-N- Molecular formula
- C18H24ClNO2S
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1216279
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-3-((3-(phenylsulfanyl)propyl)amino)propyl)phenol--hydrogen chloride (1/1)
- IUPAC
- [3-hydroxy-3-(4-hydroxyphenyl)propyl]-(3-phenylsulfanylpropyl)azanium chloride
Names & synonyms
DTXSID609563924-(1-Hydroxy-3-((3-(phenylsulfanyl)propyl)amino)propyl)phenol--hydrogen chloride (1/1)RefChem:1069717DTXCID10138435734920-64-4p-Hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)benzyl alcohol hydrochloride1-(p-Hydroxyphenyl)-2-(3'-phenylthiopropylamino)-1-propanol hydrochlorideBenzenemethanol, 4-hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)-, hydrochlorideBenzyl alcohol, p-hydroxy-alpha-(1-((3-(phenylthio)propyl)amino)ethyl)-, hydrochloride
Database identifiers
- CAS
34920-64-4- PubChem CID
- 36992
Properties
Computed structural properties
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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