2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine
Basic information
- CAS
2127-08-4- Standard SMILES
c1ccc(SCc2ccncc2)nc1- InChIKey
XQQUQBOCMUBAQP-UHFFFAOYSA-N- Molecular formula
- C11H10N2S
- Average molar mass
- 202.28 g/mol
- Monoisotopic mass
- 202.0564695
Names & identifiers
- Preferred name
- 2-[(Pyridin-4-ylmethyl)sulfanyl]pyridine
- IUPAC
- 2-(pyridin-4-ylmethylsulfanyl)pyridine
Names & synonyms
2-[(pyridin-4-ylmethyl)sulfanyl]pyridine2127-08-42-(pyridin-4-ylmethylsulfanyl)pyridine2-{[(pyridin-4-yl)methyl]sulfanyl}pyridineNSC106687DTXSID602959952-((pyridin-4-ylmethyl)thio)pyridineAKOS040707027NSC-106687F6616-1322
Database identifiers
- CAS
2127-08-4- PubChem CID
- 267443
- DTXSID
DTXSID60295995
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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