Basic information
- CAS
4262-04-8- Standard SMILES
c1ccc(SCc2cccnc2)nc1- InChIKey
HSXDYHXBGMQDNZ-UHFFFAOYSA-N- Molecular formula
- C11H10N2S
- Average molar mass
- 202.28 g/mol
- Monoisotopic mass
- 202.0564695
Names & identifiers
- Preferred name
- 2-(Pyridin-3-ylmethylsulfanyl)pyridine
- IUPAC
- 2-(pyridin-3-ylmethylsulfanyl)pyridine
Names & synonyms
4262-04-82-{[(pyridin-3-yl)methyl]sulfanyl}pyridine2-(pyridin-3-ylmethylsulfanyl)pyridineNSC106686CHEMBL357735DTXSID002959942-((pyridin-3-ylmethyl)thio)pyridineAKOS034162888NSC-106686F6616-1307Z316276450
Database identifiers
- CAS
4262-04-8- PubChem CID
- 267442
- DTXSID
DTXSID00295994- ChEMBL
CHEMBL357735
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
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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