chempirical

(1Z)-N'-Hydroxy(4-methylbenzene-1-sulfonyl)ethanimidamide

C9H12N2O3SCAS 72660-98-1228.27 g/mol

Open in Covalent MOL file
SOONOHNH2
AmidineOximeSulfone

Properties

Molecular formula
C9H12N2O3S
Molar mass
228.27 g/mol
Exact mass
228.0569 Da
logP
0.52Crippen estimate
Polar surface area
92.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Double bonds
ZE/Z, in SMILES order

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
72660-98-1
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C/C(=N/O)/N
InChIKey
ZPEOWHYBZZPAEJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12N2O3S/c1-7-2-4-8(5-3-7)15(13,14)6-9(10)11-12/h2-5,12H,6H2,1H3,(H2,10,11)

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Names and synonyms

1 names
  • 2-(Hydroxyimino)-1-((4-methylphenyl)sulfonyl)eth-2-ylamine

Work with (1Z)-N'-Hydroxy(4-methylbenzene-1-sulfonyl)ethanimidamide

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

2-(4-Fluorobenzenesulfonyl)acetamide oxime175203-76-669 % similar (4-Tolylsulphonyl)acetic acid3937-96-055 % similar (p-Tolylsulphonyl)acetone5366-49-453 % similar 2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one31378-03-748 % similar 2-[(4-Methylphenyl)sulfonyl]ethanol22381-54-048 % similar 1-[(2-Chloroethyl)sulfonyl]-4-methylbenzene22381-53-944 % similar TOSMIC36635-61-743 % similar 2-[(4-Methylphenyl)sulfonyl]acetonitrile5697-44-943 % similar

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

Elsewhere

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