Basic information
- CAS
81765-86-8- Standard SMILES
CS(=O)(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1- InChIKey
MGNCIJODWFLDOQ-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2S
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.07284766
Names & identifiers
- Preferred name
- 3-(Methanesulfonyl)-5,6-diphenyl-1,2,4-triazine
- IUPAC
- 3-methylsulfonyl-5,6-diphenyl-1,2,4-triazine
Names & synonyms
81765-86-8DTXSID305128633-(Methanesulfonyl)-5,6-diphenyl-1,2,4-triazineRefChem:275639DTXCID404636703-(Methylsulfonyl)-5,6-diphenyl-1,2,4-triazineSCHEMBL2831959MGNCIJODWFLDOQ-UHFFFAOYSA-NDB-135852
Database identifiers
- CAS
81765-86-8- PubChem CID
- 12915481
- DTXSID
DTXSID30512863
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
1 records
Compound notes
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