Basic information
- Standard SMILES
O=C(O)C=Cc1cccc2nnsc12- InChIKey
XZFLKRSULLUNQK-UHFFFAOYSA-N- Molecular formula
- C9H6N2O2S
- Average molar mass
- 206.22 g/mol
- Monoisotopic mass
- 206.01499861
Names & identifiers
- Preferred name
- 3-[Benzo-1,2,3-thiadiazol-7-yl]acrylic acid
- IUPAC
- 3-(1,2,3-benzothiadiazol-7-yl)prop-2-enoic acid
Names & synonyms
SCHEMBL2778866XZFLKRSULLUNQK-UHFFFAOYSA-N3-[benzo-1,2,3-thiadiazol-7-yl]acrylic acid
Database identifiers
- PubChem CID
- 54496090
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 257
Related reactions
2 records
Compound notes
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