Basic information
- Standard SMILES
Nc1cccc(Sc2ccnc(Cl)n2)c1- InChIKey
QLIBXIAXHUBWDC-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3S
- Average molar mass
- 237.71 g/mol
Names & identifiers
- Preferred name
- 3-(2-Chloropyrimidin-4-ylthio)benzenamine
- IUPAC
- 3-(2-chloropyrimidin-4-yl)sulfanylaniline
Names & synonyms
3-(2-chloropyrimidin-4-ylthio)benzenamine1042129-36-13-(2-chloropyrimidin-4-yl)sulfanylanilineSCHEMBL3693165QLIBXIAXHUBWDC-UHFFFAOYSA-NA1-11490
Database identifiers
- PubChem CID
- 86645573
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Related reactions
2 records
Compound notes
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