Basic information
- CAS
6299-76-9- Standard SMILES
Nc1nc(SCc2ccc(Cl)cc2Cl)c(-c2ccccc2)c(SCc2ccc(Cl)cc2Cl)n1- InChIKey
VJXBQCBCDJJODN-UHFFFAOYSA-N- Molecular formula
- C24H17Cl4N3S2
- Average molar mass
- 553.4 g/mol
- Monoisotopic mass
- 550.961801
Names & identifiers
- Preferred name
- 4,6-Bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-phenylpyrimidin-2-amine
- IUPAC
- 4,6-bis[(2,4-dichlorophenyl)methylsulfanyl]-5-phenylpyrimidin-2-amine
Names & synonyms
6299-76-9NSC45034DTXSID90328684NSC-450344,6-Bis{[(2,4-dichlorophenyl)methyl]sulfanyl}-5-phenylpyrimidin-2-amine
Database identifiers
- CAS
6299-76-9- PubChem CID
- 413101
- DTXSID
DTXSID90328684
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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