Basic information
- CAS
6299-78-1- Standard SMILES
Clc1ccccc1CSc1cc(SCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1- InChIKey
LZKKMPKZSOHYNZ-UHFFFAOYSA-N- Molecular formula
- C25H19Cl3N2S3
- Average molar mass
- 550 g/mol
- Monoisotopic mass
- 547.977595
Names & identifiers
- Preferred name
- 2,4,6-Tris[(2-chlorophenyl)methylsulfanyl]pyrimidine
- IUPAC
- 2,4,6-tris[(2-chlorophenyl)methylsulfanyl]pyrimidine
Names & synonyms
6299-78-12,4,6-tris[(2-chlorophenyl)methylsulfanyl]pyrimidineNSC45036DTXSID30286355NSC-450362,4,6-Tris{[(2-chlorophenyl)methyl]sulfanyl}pyrimidine
Database identifiers
- CAS
6299-78-1- PubChem CID
- 239683
- DTXSID
DTXSID30286355
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 541
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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