2-(4-Methylphenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
Basic information
- CAS
24478-01-1- Standard SMILES
Cc1ccc(Sc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1- InChIKey
HCXWWANCOSDRNI-UHFFFAOYSA-N- Molecular formula
- C12H7Cl6N3S
- Average molar mass
- 438 g/mol
- Monoisotopic mass
- 434.849185
Names & identifiers
- Preferred name
- 2-(4-Methylphenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- IUPAC
- 2-(4-methylphenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- English name
- 2-[(4-Methylphenyl)thio]-4,6-bis(trichloromethyl)-1,3,5-triazine
- Molecular formula
- C12H7Cl6N3S
- Molecular weight
- 437.99
Names & synonyms
24478-01-12-(4-methylphenyl)sulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazineDTXSID20274948RefChem:252701DTXCID30226397s-Triazine, 2-(p-tolylthio)-4,6-bis(trichloromethyl)-SCHEMBL28814940HCXWWANCOSDRNI-UHFFFAOYSA-N1,3,5-Triazine, 2-[(4-methylphenyl)thio]-4,6-bis(trichloromethyl)-2-[(4-methylphenyl)sulfanyl]-4,6-bis(trichloromethyl)-1,3,5-triazine4,6-Bis(trichloromethyl)-1,3,5-triazin-2-yl 4-methylphenyl sulfide #2-[(4-Methylphenyl)thio]-4,6-bis(trichloromethyl)-1,3,5-triazine
Database identifiers
- CAS
24478-01-1- PubChem CID
- 32419
- DTXSID
DTXSID20274948- Nikkaji
- J114.686F
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 484 · 484.0±55.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -3.04 · -3.04±0.10(Predicted)
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Compound notes
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