Basic information
- CAS
26547-31-9- Standard SMILES
Clc1ccc(Sc2ncccn2)cc1- InChIKey
GYVSGYAJRNOUDV-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2S
- Average molar mass
- 222.69 g/mol
- Monoisotopic mass
- 222.0018471
Names & identifiers
- Preferred name
- Pyrimidine, 2-(p-chlorophenylthio)-
- IUPAC
- 2-(4-chlorophenyl)sulfanylpyrimidine
Names & synonyms
Pyrimidine, 2-(p-chlorophenylthio)-26547-31-9DTXSID00181121RefChem:377534DTXCID10103612Enamine_0045962-[(4-CHLOROPHENYL)SULFANYL]PYRIMIDINESCHEMBL10394650HMS1407A20Pyrimidine, 2-(p-chlorophenylthio)-,Z31207258
Database identifiers
- CAS
26547-31-9- PubChem CID
- 141302
- DTXSID
DTXSID00181121- Nikkaji
- J247.322D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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