Basic information
- Standard SMILES
Cc1c(I)ccc2c1C(=O)NS2(=O)=O- InChIKey
WIDMPOXKKQTBLA-UHFFFAOYSA-N- Molecular formula
- C8H6INO3S
- Average molar mass
- 323.11 g/mol
Names & identifiers
- Preferred name
- 4-Methyl-5-iodosaccharin
- IUPAC
- 5-iodo-4-methyl-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
4-Methyl-5-iodosaccharinSCHEMBL8084646WIDMPOXKKQTBLA-UHFFFAOYSA-N4-Methyl-5-iodo-1,1,3-trioxo-2,3-dihydro-1lambda6 benz[d]isothiazole
Database identifiers
- PubChem CID
- 15346293
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 361
Related reactions
7 records
Linked notes
Loading…