Basic information
- CAS
6299-79-2- Standard SMILES
Nc1nc(SCc2ccccc2Cl)c(-c2ccccc2)c(SCc2ccccc2Cl)n1- InChIKey
QEEUKGYSFPOHCY-UHFFFAOYSA-N- Molecular formula
- C24H19Cl2N3S2
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 483.0397454
Names & identifiers
- Preferred name
- 4,6-Bis{[(2-chlorophenyl)methyl]sulfanyl}-5-phenylpyrimidin-2-amine
- IUPAC
- 4,6-bis[(2-chlorophenyl)methylsulfanyl]-5-phenylpyrimidin-2-amine
Names & synonyms
6299-79-2NSC45038DTXSID503286854,6-Bis{[(2-chlorophenyl)methyl]sulfanyl}-5-phenylpyrimidin-2-amineNSC-45038
Database identifiers
- CAS
6299-79-2- PubChem CID
- 413102
- DTXSID
DTXSID50328685
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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