3-(Methylsulfanyl)-6-phenylthieno[2,3-e][1,2,4]triazine
Basic information
- CAS
69347-03-1- Standard SMILES
CSc1nnc2cc(-c3ccccc3)sc2n1- InChIKey
WXIBQPLCUFMCBE-UHFFFAOYSA-N- Molecular formula
- C12H9N3S2
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.02378965
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)-6-phenylthieno[2,3-e][1,2,4]triazine
- IUPAC
- 3-methylsulfanyl-6-phenylthieno[2,3-e][1,2,4]triazine
Names & synonyms
69347-03-13-methylsulfanyl-6-phenylthieno[2,3-e][1,2,4]triazine3-(Methylsulfanyl)-6-phenylthieno[2,3-e][1,2,4]triazineNSC299390DTXSID60316098NSC-299390
Database identifiers
- CAS
69347-03-1- PubChem CID
- 326897
- DTXSID
DTXSID60316098
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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