2-[(4-Chlorophenyl)methylsulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Basic information
- CAS
24481-73-0- Standard SMILES
Clc1ccc(CSc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1- InChIKey
JJQMDFYSTUCIAN-UHFFFAOYSA-N- Molecular formula
- C12H6Cl7N3S
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 468.810212
Names & identifiers
- Preferred name
- 2-[(4-Chlorophenyl)methylsulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-[(4-chlorophenyl)methylsulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine
Names & synonyms
2-[(4-chlorophenyl)methylsulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine24481-73-0DTXSID402749652-{[(4-chlorophenyl)methyl]sulfanyl}-4,6-bis(trichloromethyl)-1,3,5-triazine
Database identifiers
- CAS
24481-73-0- PubChem CID
- 32459
- DTXSID
DTXSID40274965- Nikkaji
- J571.124J
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 360
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Compound notes
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