Basic information
- CAS
63484-75-3- Standard SMILES
CSc1nnc2nc3c4ccccc4c4ccccc4c3nn12- InChIKey
QVYHPCZNSMKOMC-UHFFFAOYSA-N- Molecular formula
- C17H11N5S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.07351655
Names & identifiers
- Preferred name
- 12-(Methylsulfanyl)phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine
- IUPAC
- 17-methylsulfanyl-15,16,18,19,21-pentazapentacyclo[12.7.0.02,7.08,13.016,20]henicosa-1(21),2,4,6,8,10,12,14,17,19-decaene
Names & synonyms
63484-75-3NSC299389DTXSID00316097NSC-29938912-(Methylsulfanyl)phenanthro[9,10-e][1,2,4]triazolo[4,3-b][1,2,4]triazine
Database identifiers
- CAS
63484-75-3- PubChem CID
- 326896
- DTXSID
DTXSID00316097
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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