Basic information
- Standard SMILES
CCCc1cccc2c1C(=O)NS2(=O)=O- InChIKey
VTSFEVZZZKVVJF-UHFFFAOYSA-N- Molecular formula
- C10H11NO3S
- Average molar mass
- 225.27 g/mol
Names & identifiers
- Preferred name
- 4-Propylsaccharin
- IUPAC
- 1,1-dioxo-4-propyl-1,2-benzothiazol-3-one
Names & synonyms
4-propylsaccharinSCHEMBL7280710VTSFEVZZZKVVJF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 70044584
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 357
Related reactions
5 records
Compound notes
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