Basic information
- CAS
71897-63-7- Standard SMILES
c1ccc(SCc2ccccn2)cc1- InChIKey
OZURYZAHRAPLJF-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122035
Names & identifiers
- Preferred name
- 2-((Phenylthio)methyl)pyridine
- IUPAC
- 2-(phenylsulfanylmethyl)pyridine
- English name
- 2-((phenylthio)methyl)pyridine
- Molecular weight
- 0
Names & synonyms
2-((Phenylthio)methyl)pyridine71897-63-72-PtmpPyridine, 2-((phenylthio)methyl)-DTXSID10222155RefChem:83761DTXCID101446462-(phenylsulfanylmethyl)pyridine2-(Phenylthiomethyl)pyridine2-[(PHENYLSULFANYL)METHYL]PYRIDINE2-phenylsulphanylmethylpyridineSCHEMBL432670
Show more names
2-phenylsulfanylmethyl-pyridineCHEMBL1189805SCHEMBL29405082OZURYZAHRAPLJF-UHFFFAOYSA-NAKOS002785226
Database identifiers
- CAS
71897-63-7- PubChem CID
- 194422
- DTXSID
DTXSID10222155- ChEMBL
CHEMBL1189805- Nikkaji
- J1.290.239E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 154
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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