Benzothiazolium, 3-(2-propenyl)-, iodide
Basic information
- CAS
87910-64-3- Standard SMILES
C=CC[n+]1csc2ccccc21.[I-]- InChIKey
DHSGLTFMPMFODL-UHFFFAOYSA-M- Molecular formula
- C10H10INS
- Average molar mass
- 303.16 g/mol
- Monoisotopic mass
- 302.95787
Names & identifiers
- Preferred name
- Benzothiazolium, 3-(2-propenyl)-, iodide
- IUPAC
- 3-prop-2-enyl-1,3-benzothiazol-3-ium iodide
Names & synonyms
87910-64-3Benzothiazolium, 3-(2-propenyl)-, iodideDTXSID9010078503-(PROP-2-EN-1-YL)-1,3-BENZOTHIAZOL-3-IUM IODIDE
Database identifiers
- CAS
87910-64-3- PubChem CID
- 159174
- DTXSID
DTXSID901007850
Properties
Computed structural properties
- Topological polar surface area
- 32.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
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Compound notes
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