3-Ethoxy-1H-1lambda~6~,2-benzothiazole-1,1-dione
Basic information
- CAS
18712-15-7- Standard SMILES
CCOC1=NS(=O)(=O)c2ccccc21- InChIKey
ZTDNTGGXSZLIEO-UHFFFAOYSA-N- Molecular formula
- C9H9NO3S
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.03031432
Names & identifiers
- Preferred name
- 3-Ethoxy-1H-1lambda~6~,2-benzothiazole-1,1-dione
- IUPAC
- 3-ethoxy-1,2-benzothiazole 1,1-dioxide
- English name
- 3-Ethoxy 1,2-benzisothiazole 1,1-dioxide
- Molecular formula
- C9H9NO3S
- Molecular weight
- 211.24
Names & synonyms
18712-15-7DTXSID903555313-Ethoxy-1H-1lambda~6~,2-benzothiazole-1,1-dioneRefChem:278985DTXCID203065913-Ethoxybenzo[d]isothiazole 1,1-dioxide3-ethoxy-1,2-benzothiazole 1,1-dioxideO-EthylsaccharinMFCD029568303-Ethoxy-1,2-benzothiazole-1,1-dioxideMLS0005487373-Ethoxybenzo[d]isothiazole1,1-dioxide
Show more names
1,2-Benzisothiazole, 3-ethoxy-, 1,1-dioxide
3-Ethoxy-benzo[d]isothiazole 1,1-dioxide3-Ethoxy 1,2-benzisothiazole 1,1-dioxideCambridge id 7112569SCHEMBL8437480CHEMBL1491698HMS2562M10GEO-04003STK135992
Database identifiers
- CAS
18712-15-7- PubChem CID
- 804844
- DTXSID
DTXSID90355531- ChEMBL
CHEMBL1491698
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 216 · 216.0-219.0 °C
- Boiling point
- 358.8 · 358.8±25.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -2.24 · -2.24±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesO-Ethylsaccharin is used in method using lifespan-altering compounds for altering lifespan of eukaryotic organisms, and screening for such compounds.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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