Acetic acid, (phenylthio)-, 1,1-dimethylethyl ester
tert-butyl 2-phenylsulfanylacetate
Also Known As: t-Butyl phenylthioacetate|t-butyl(phenylthio)acetate|tert-butyl (phenylthio)acetate|tert-Butyl (phenylsulfanyl)acetate|tert-Butyl 2-(phenylsulfanyl)acetate|tert-butyl 2-phenylsulfanylacetate|tert-Butyl 2-(Phenylsulfenyl)acetate|tert-Butyl (phenylsulfanyl)acetate #|(Phenylthio)acetic acid tert-butyl ester|Acetic acid, (phenylthio)-, 1,1-dimethylethyl ester|J1.062.769I
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.0871 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.0871 |
| Monoisotopic Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 63006-68-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=CC=CC=C1 |
| InChIKey | DCBFWYUEVNDENZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, (phenylthio)-, 1,1-dimethylethyl ester (CAS 63006-68-8), with molecular formula C12H16O2S and molecular weight 224.0871 g/mol. IUPAC: tert-butyl 2-phenylsulfanylacetate.
Acetic acid, (phenylthio)-, 1,1-dimethylethyl ester is a custom synthesis product. We offer services from milligram to kilogram scale.
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