2-Methylthio-4,6-bis(trichloromethyl)-s-triazine
Basic information
- CAS
3599-76-6- Standard SMILES
CSc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1- InChIKey
CYPWEVNLBQKLEU-UHFFFAOYSA-N- Molecular formula
- C6H3Cl6N3S
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 358.817884
Names & identifiers
- Preferred name
- 2-Methylthio-4,6-bis(trichloromethyl)-s-triazine
- IUPAC
- 2-methylsulfanyl-4,6-bis(trichloromethyl)-1,3,5-triazine
- English name
- 2-(Methylthio)-4,6-bis(trichloromethyl)-1,3,5-triazine
- Molecular weight
- 0
Names & synonyms
2-Methylthio-4,6-bis(trichloromethyl)-s-triazine3599-76-6DTXSID90189550RefChem:264018DTXCID50112041s-Triazine, 2-(methylthio)-4,6-bis(trichloromethyl)-SCHEMBL9353525CHEMBL2286880CYPWEVNLBQKLEU-UHFFFAOYSA-N1,3,5-Triazine, 2-(methylthio)-4,6-bis(trichloromethyl)-2-(Methylsulfanyl)-4,6-bis(trichloromethyl)-1,3,5-triazine2-(Methylsulfanyl)-4,6-bis(trichloromethyl)-1,3,5-triazine #
Show more names
2-(Methylthio)-4,6-bis(trichloromethyl)-1,3,5-triazine
Database identifiers
- CAS
3599-76-6- PubChem CID
- 19203
- DTXSID
DTXSID90189550- ChEMBL
CHEMBL2286880- Nikkaji
- J129.567E
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
LogP4.42
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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