Basic information
- Standard SMILES
CCOc1ccc2c(c1)C(=O)N(CCCCO)S2(=O)=O- InChIKey
KZHCDPSGIKVQOC-UHFFFAOYSA-N- Molecular formula
- C13H17NO5S
- Average molar mass
- 299.34 g/mol
- Monoisotopic mass
- 299.08274382
Names & identifiers
- Preferred name
- 2-(4-hydroxybutyl)-1,1-dioxido-5-ethoxy-1,2-benzothiazol-3(2H)-one
- IUPAC
- 5-ethoxy-2-(4-hydroxybutyl)-1,1-dioxo-1,2-benzothiazol-3-one
Names & synonyms
SCHEMBL8670888KZHCDPSGIKVQOC-UHFFFAOYSA-N2-(4-hydroxybutyl)-1,1-dioxido-5-ethoxy-1,2-benzothiazol-3(2H)-one
Database identifiers
- PubChem CID
- 19085831
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
2 records
Compound notes
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