Ethyl N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]ethanimidate

C13H19NO4SCAS 38202-27-6285.36 g/mol

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Oxime

Properties

Molecular formula
C13H19NO4S
Molar mass
285.36 g/mol
Exact mass
285.1035 Da
Melting point
56–58 °C
logP
2.69Crippen estimate
Polar surface area
65.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
38202-27-6
SMILES
CCOC(C)=NOS(=O)(=O)c1c(C)cc(C)cc1C
InChIKey
KQCBSWBQAXTILK-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO4S/c1-6-17-12(5)14-18-19(15,16)13-10(3)7-9(2)8-11(13)4/h7-8H,6H2,1-5H3

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Names and synonyms

5 names
  • Ethanimidic acid, N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]-, ethyl ester
  • Ethyl O-2,4,6-trimethylphenylsulfonylacetohydroxamate
  • O-Mesitylsulfonylacetohydroxamic acid ethyl ester
  • N-[(Mesitylenesulfonyl)oxy]acetimidic acid ethyl ester
  • Ethyl N-[(mesitylsulfonyl)oxy]acetimidate

Work with Ethyl N-[[(2,4,6-trimethylphenyl)sulfonyl]oxy]ethanimidate

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

[(1,1-Dimethylethoxy)carbonyl]azanyl 2,4,6-trimethylbenzenesulfonate36016-39-451 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-843 % similar Ethyl mesitylacetate5460-08-242 % similar Mesitylene-2-sulphonohydrazide16182-15-336 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-636 % similar Mesitylenesulfonyl chloride773-64-836 % similar Sodium 2,4,6-trimethylbenzenesulfonate6148-75-034 % similar Ethyl p-toluenesulfonate80-40-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-(S)-3-amino-4-(2-thienyl)-butyric acid190190-47-7 Boc-(R)-3-amino-4-(3-thienyl)-butyric acid269726-92-3 Probenecid57-66-9

Elsewhere

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