Basic information
- CAS
43029-39-6- Standard SMILES
Cc1nnc2sc(/C=C/c3ccccc3)nn12- InChIKey
JKPVTJJPEOVAHM-BQYQJAHWSA-N- Molecular formula
- C12H10N4S
- Average molar mass
- 242.3 g/mol
- Monoisotopic mass
- 242.06261751
Names & identifiers
- Preferred name
- 3-Methyl-6-(2-phenylvinyl)(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole
- IUPAC
- 3-methyl-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Names & synonyms
43029-39-6NSC2969593-Methyl-6-styryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleNSC 2969593-Methyl-6-(2-phenylvinyl)(1,2,4)triazolo(3,4-b)(1,3,4)thiadiazole3-Methyl-6-(2-phenylvinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleNSC-2969593-methyl-6-[(E)-2-phenylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazoleSTK289480AKOS003370943CCG-149002AP-395/40718784
Show more names
SR-01000301895SR-01000301895-13-methyl-6-[(E)-styryl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole3-methyl-6-[(E)-2-phenylethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Database identifiers
- CAS
43029-39-6- PubChem CID
- 5742100
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
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