Ethyl (phenylthio)acetate

C₁₀H₁₂O₂SCAS 7605-25-6196.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₂S
Molar mass: 196.26 g/mol
Exact mass: 196.0558 Da
logP: 2.34Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

7605-25-6

SMILES

CCOC(=O)CSC1=CC=CC=C1

InChIKey

SEDRTXNDGKRHBL-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Names and synonyms

1 names

Acetic acid, (phenylthio)-, ethyl ester

Work with Ethyl (phenylthio)acetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 2-(phenylthio)acetate17277-58-665 % similar Ethyl phenylacetate101-97-357 % similar Ethyl 3-phenylpropanoate2021-28-556 % similar Ethyl 2-phenoxyacetate2555-49-954 % similar Diethyl thiodiglycolate925-47-353 % similar N-Phenylglycine ethyl ester2216-92-453 % similar Benzyl ethyl malonate42998-51-653 % similar Ethyl benzoylacetate94-02-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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