Basic information
- CAS
5516-48-3- Standard SMILES
CSc1nc(C(Cl)(Cl)CCl)nc(C(Cl)(Cl)CCl)n1- InChIKey
QYXMQFJABYIVDE-UHFFFAOYSA-N- Molecular formula
- C8H7Cl6N3S
- Average molar mass
- 389.9 g/mol
- Monoisotopic mass
- 386.849185
Names & identifiers
- Preferred name
- 2-Methylsulfanyl-4,6-bis(1,1,2-trichloroethyl)-1,3,5-triazine
- IUPAC
- 2-methylsulfanyl-4,6-bis(1,1,2-trichloroethyl)-1,3,5-triazine
Names & synonyms
2-methylsulfanyl-4,6-bis(1,1,2-trichloroethyl)-1,3,5-triazine5516-48-3DTXSID902747132-(methylsulfanyl)-4,6-bis(1,1,2-trichloroethyl)-1,3,5-triazine
Database identifiers
- CAS
5516-48-3- PubChem CID
- 21689
- DTXSID
DTXSID90274713- Nikkaji
- J1.560.547B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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