3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, (1-cyanoethyl)dimethylsilyl ester
Basic information
- CAS
106865-13-8- Standard SMILES
CC(C#N)[Si](C)(C)OC(=O)Cn1c(=O)sc2cccc(Cl)c21- InChIKey
ZELNYYSMQUPCBG-UHFFFAOYSA-N- Molecular formula
- C14H15ClN2O3SSi
- Average molar mass
- 354.9 g/mol
- Monoisotopic mass
- 354.0261177
Names & identifiers
- Preferred name
- 3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, (1-cyanoethyl)dimethylsilyl ester
- IUPAC
- [1-cyanoethyl(dimethyl)silyl] 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
Names & synonyms
106865-13-8DTXSID409101543(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, (1-cyanoethyl)dimethylsilyl ester(1-cyanoethyl)(dimethyl)silyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate(1-Cyanoethyl)di(methyl)silyl (4-chloro-2-oxo-1,3-benzothiazol-3(2H)-yl)acetate
Database identifiers
- CAS
106865-13-8- PubChem CID
- 184751
- DTXSID
DTXSID40910154
Properties
Computed structural properties
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 521
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Compound notes
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