Basic information
- CAS
21416-93-3- Standard SMILES
COC(=O)CC1NS(=O)(=O)c2ccccc21- InChIKey
RCLRCEOXSRMFPJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4S
- Average molar mass
- 241.27 g/mol
- Monoisotopic mass
- 241.04087901
Names & identifiers
- Preferred name
- Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetate
- IUPAC
- methyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Names & synonyms
21416-93-3DTXSID80943981Methyl (1,1-dioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-3-yl)acetateRefChem:1089162DTXCID501372338BRN 09978611,2-Benzisothiazoline-3-acetic acid, methyl ester, 1,1-dioxide
Database identifiers
- CAS
21416-93-3- PubChem CID
- 210607
- DTXSID
DTXSID80943981
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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