Basic information
- CAS
21181-91-9- Standard SMILES
Cl.c1ccc(CSCCc2ccncc2)cc1- InChIKey
CTBDXUUHBWDLGJ-UHFFFAOYSA-N- Molecular formula
- C14H16ClNS
- Average molar mass
- 265.8 g/mol
- Monoisotopic mass
- 265.0691984
Names & identifiers
- Preferred name
- 4-(2-(Benzylthio)ethyl)pyridine hydrochloride
- IUPAC
- 4-(2-benzylsulfanylethyl)pyridine;hydrochloride
Names & synonyms
4-(2-(Benzylthio)ethyl)pyridine hydrochloride21181-91-9VR3RHW2YRKNSC-20207Pyridine, 4-(2-(benzylthio)ethyl)-, hydrochloridePyridine, 4-[2-(benzylthio)ethyl]-, hydrochlorideRefChem:10697834-(2-benzylsulfanylethyl)pyridine;hydrochlorideNSC20207NSC 20207USAF IN-4CHEMBL1968282
Show more names
AKOS003826687ST003116DS-014452SR-010005233161-(phenylmethylthio)-2-(4-pyridyl)ethane, chlorideSR-01000523316-1Pyridine, 4-[2-[(phenylmethyl)thio]ethyl]-, hydrochloride
Database identifiers
- CAS
21181-91-9- PubChem CID
- 210229
- ChEMBL
CHEMBL1968282- UNII
- VR3RHW2YRK
Properties
Computed structural properties
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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