Ethyl phenylsulfonylacetate

C10H12O4SCAS 7605-30-3228.26 g/mol

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EsterSulfone

Properties

Molecular formula
C10H12O4S
Molar mass
228.26 g/mol
Exact mass
228.0456 Da
Melting point
42.5–43.5 °C
logP
1.02Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
7605-30-3
SMILES
CCOC(=O)CS(=O)(=O)c1ccccc1
InChIKey
NJBWORPRIRNTLH-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Acetic acid, 2-(phenylsulfonyl)-, ethyl ester
  • Acetic acid, (phenylsulfonyl)-, ethyl ester
  • Ethyl benzenesulfonylacetate
  • (Phenylsulfonyl)acetic acid ethyl ester
  • Ethyl 2-(phenylsulfonyl)acetate
  • Ethyl (phenylsulphonyl)acetate

Work with Ethyl phenylsulfonylacetate

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 phenylsulfonyl acetate34097-60-467 % similar Ethyl phenylacetate101-97-354 % similar Phenylsulfonylacetone5000-44-254 % similar Ethyl 3-phenylpropanoate2021-28-553 % similar 2-(Benzenesulfonyl)acetamide35008-50-551 % similar Ethyl 2-phenoxyacetate2555-49-951 % similar N-Phenylglycine ethyl ester2216-92-450 % similar 1-Phenyl-2-(phenylsulphonyl)ethan-1-one3406-03-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-Glycidyl tosylate113826-06-5 Oxetan-3-yl 4-methylbenzene-1-sulfonate26272-83-3 (S)-Glycidyl tosylate70987-78-9 2-(3,4-Dimethoxyphenylthio)acetic acid95735-63-0

Elsewhere

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