Basic information
- CAS
15067-64-8- Standard SMILES
CSc1nc(SC)nc(-c2ccccc2)n1- InChIKey
IBMIUOUFFPDHPE-UHFFFAOYSA-N- Molecular formula
- C11H11N3S2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.03943971
Names & identifiers
- Preferred name
- 2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine
- IUPAC
- 2,4-bis(methylsulfanyl)-6-phenyl-1,3,5-triazine
Names & synonyms
2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazineDTXSID2027482215067-64-8RefChem:246022DTXCID50226278IBMIUOUFFPDHPE-UHFFFAOYSA-N1,3,5-Triazine, 2,4-bis(methylthio)-6-phenyl-2,4-Bis(methylsulfanyl)-6-phenyl-1,3,5-triazine #
Database identifiers
- CAS
15067-64-8- PubChem CID
- 27017
- DTXSID
DTXSID20274822- Nikkaji
- J1.415.883I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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