Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
Basic information
- CAS
21070-68-8- Standard SMILES
Cl.c1ccc(SCCc2ccncc2)cc1- InChIKey
WKFNXURMDAVCKV-UHFFFAOYSA-N- Molecular formula
- C13H14ClNS
- Average molar mass
- 251.78 g/mol
- Monoisotopic mass
- 251.0535483
Names & identifiers
- Preferred name
- Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride
- IUPAC
- 4-(2-phenylsulfanylethyl)pyridine;hydrochloride
Names & synonyms
Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochlorideRefChem:109730121070-68-84-[2-(phenylsulfanyl)ethyl]pyridine hydrochlorideNSC17776NSC-17776NSC 17776USAF IN-34-(2-(Phenylthio)ethyl)pyridine hydrochlorideCHEMBL1985052STK022905AKOS005379140
Database identifiers
- CAS
21070-68-8- PubChem CID
- 88778
- ChEMBL
CHEMBL1985052
Properties
Computed structural properties
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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