Basic information
- CAS
83782-80-3- Standard SMILES
c1ccc(CSc2ncccn2)nc1- InChIKey
OARMSWNYNKYQCE-UHFFFAOYSA-N- Molecular formula
- C10H9N3S
- Average molar mass
- 203.27 g/mol
- Monoisotopic mass
- 203.05171847
Names & identifiers
- Preferred name
- Pyrimidine, 2-[(2-pyridinylmethyl)thio]-
- IUPAC
- 2-(pyridin-2-ylmethylsulfanyl)pyrimidine
Names & synonyms
Pyrimidine, 2-[(2-pyridinylmethyl)thio]-83782-80-32-{[(pyridin-2-yl)methyl]sulfanyl}pyrimidine2-(pyridin-2-ylmethylsulfanyl)pyrimidine2-((pyridin-2-ylmethyl)thio)pyrimidine2-[(PYRIDIN-2-YLMETHYL)SULFANYL]PYRIMIDINECHEMBL155098SCHEMBL6639863DTXSID104032802-(2-pyridylmethylthio)pyrimidineAKOS024288092ST103213
Show more names
ST51029289F6616-1335
Database identifiers
- CAS
83782-80-3- PubChem CID
- 4436768
- DTXSID
DTXSID10403280- ChEMBL
CHEMBL155098
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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