Basic information
- CAS
95778-73-7- Standard SMILES
CC(C)(C)OC(=O)CS(=O)Nc1ccccc1O- InChIKey
FOMVQPFPHAYNMN-UHFFFAOYSA-N- Molecular formula
- C12H17NO4S
- Average molar mass
- 271.33 g/mol
- Monoisotopic mass
- 271.0878292
Names & identifiers
- Preferred name
- Acetic acid, [[(2-hydroxyphenyl)amino]sulfinyl]-, 1,1-dimethylethyl ester
- IUPAC
- tert-butyl 2-(2-hydroxyphenyl)sulfinamoylacetate
Names & synonyms
95778-73-7Acetic acid, [[(2-hydroxyphenyl)amino]sulfinyl]-, 1,1-dimethylethyl estertert-Butyl 2-(N-(2-hydroxyphenyl)sulfinamoyl)acetateNSC367968tert-butyl 2-(2-hydroxyphenyl)sulfinamoylacetateDTXSID60321021NSC-367968tert-Butyl [(2-hydroxyanilino)sulfinyl]acetate
Database identifiers
- CAS
95778-73-7- PubChem CID
- 339846
- DTXSID
DTXSID60321021
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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