2-[4-(1,3-Dithiolan-2-yl)phenoxy]-N-hydroxyethanimidamide

C₁₁H₁₄N₂O₂S₂CAS 262607-85-2270.36 g/mol

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Amidine Ether Sulfide

Properties

Molecular formula: C₁₁H₁₄N₂O₂S₂
Molar mass: 270.36 g/mol
Exact mass: 270.0497 Da
logP: 2.50Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4

Identifiers

CAS number

262607-85-2

SMILES

N=C(COc1ccc(C2SCCS2)cc1)NO

InChIKey

GEOIYFLEWGZJBK-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2S2/c12-10(13-14)7-15-9-3-1-8(2-4-9)11-16-5-6-17-11/h1-4,11,14H,5-7H2,(H2,12,13)

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Names and synonyms

1 names

Ethanimidamide, 2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-hydroxy-

Work with 2-[4-(1,3-Dithiolan-2-yl)phenoxy]-N-hydroxyethanimidamide

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′-Hydroxyphenyl)-1,3-dithiolane22068-49-141 % similar Phenoxyacetamide621-88-535 % similar 2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-631 % similar

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

Elsewhere

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