Basic information
- CAS
75464-86-7- Standard SMILES
c1ccc(Sc2ncccn2)nc1- InChIKey
MKSOZMCQINVWAZ-UHFFFAOYSA-N- Molecular formula
- C9H7N3S
- Average molar mass
- 189.24 g/mol
- Monoisotopic mass
- 189.03606841
Names & identifiers
- Preferred name
- 2-Pyridin-2-ylsulfanylpyrimidine
- IUPAC
- 2-pyridin-2-ylsulfanylpyrimidine
Names & synonyms
2-pyridin-2-ylsulfanylpyrimidine2-(pyridin-2-ylsulfanyl)pyrimidine75464-86-72-(pyridin-2-ylthio)pyrimidineMLS000757012NSC-311723azinylthiopyrimidineNSC 311723XW4QR84ZPE2-(2-Pyridinylthio)pyrimidineSCHEMBL1037031CHEMBL1723092
Show more names
SCHEMBL12804177DTXSID90996923HMS2786C11Pyrimidine, 2-(2-pyridinylthio)-EX-A7408NSC3117232-[(Pyridin-2-yl)sulfanyl]pyrimidineAKOS040707019
Database identifiers
- CAS
75464-86-7- PubChem CID
- 100517
- DTXSID
DTXSID90996923- ChEMBL
CHEMBL1723092- UNII
- XW4QR84ZPE
- Nikkaji
- J691.371G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 148
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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