9HC9DD94P3
Basic information
- CAS
43029-39-6- Standard SMILES
Cc1nnc2sc(C=Cc3ccccc3)nn12- InChIKey
JKPVTJJPEOVAHM-UHFFFAOYSA-N- Molecular formula
- C12H10N4S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.06261751
Names & identifiers
- Preferred name
- 9HC9DD94P3
- IUPAC
- 3-methyl-6-(2-phenylethenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Names & synonyms
NSC-2969599HC9DD94P31,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 3-methyl-6-(2-phenylethenyl)-
Database identifiers
- CAS
43029-39-6- PubChem CID
- 326209
- UNII
- 9HC9DD94P3
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…