Pyridine, 2-[(propylthio)methyl]-
Basic information
- CAS
21897-12-1- Standard SMILES
CCCSCc1ccccn1- InChIKey
BPGYQXGGLRQYNC-UHFFFAOYSA-N- Molecular formula
- C9H13NS
- Average molar mass
- 167.27 g/mol
- Monoisotopic mass
- 167.07687059
Names & identifiers
- Preferred name
- Pyridine, 2-[(propylthio)methyl]-
- IUPAC
- 2-(propylsulfanylmethyl)pyridine
Names & synonyms
Pyridine, 2-[(propylthio)methyl]-21897-12-1NCIOpen2_004065SCHEMBL8409739SCHEMBL23132326DTXSID103289842-[(PROPYLSULFANYL)METHYL]PYRIDINE
Database identifiers
- CAS
21897-12-1- PubChem CID
- 416124
- DTXSID
DTXSID10328984
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 95.6
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Compound notes
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