Basic information
- Standard SMILES
Cc1ccnc(SCc2c(Cl)ccc(Cl)c2Cl)n1- InChIKey
ZNRHISVQVXGHDT-UHFFFAOYSA-N- Molecular formula
- C12H9Cl3N2S
- Average molar mass
- 319.6 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-2-{[(2,3,6-trichlorophenyl)methyl]sulfanyl}pyrimidine
- IUPAC
- 4-methyl-2-[(2,3,6-trichlorophenyl)methylsulfanyl]pyrimidine
Names & synonyms
SCHEMBL844097ZNRHISVQVXGHDT-UHFFFAOYSA-N4-methyl-2-{[(2,3,6-trichlorophenyl)methyl]sulfanyl}pyrimidine
Database identifiers
- PubChem CID
- 59589507
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
2 records
Compound notes
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