Basic information
- CAS
14946-02-2- Standard SMILES
CSc1nc(N)nc(C(Cl)(Cl)Cl)n1- InChIKey
YXUPRFHQQYZYNZ-UHFFFAOYSA-N- Molecular formula
- C5H5Cl3N4S
- Average molar mass
- 259.5 g/mol
- Monoisotopic mass
- 257.93005
Names & identifiers
- Preferred name
- s-Triazine, 2-amino-4-(methylthio)-6-(trichloromethyl)-
- IUPAC
- 4-methylsulfanyl-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
14946-02-2s-Triazine, 2-amino-4-(methylthio)-6-(trichloromethyl)-SCHEMBL9350626CHEMBL2271909DTXSID908787702-Amino-4-methylthio-6-trichloromethyl-s-triazin6-(Methylsulfanyl)-4-(trichloromethyl)-1,3,5-triazin-2(1H)-imine
Database identifiers
- CAS
14946-02-2- PubChem CID
- 26980
- DTXSID
DTXSID90878770- ChEMBL
CHEMBL2271909- Nikkaji
- J540.650A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
LogP3.12
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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