Ethyl(3-nitrophenyl)sulfane

C₈H₉NO₂SCAS 34126-43-7183.22 g/mol

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Properties

Molecular formula: C₈H₉NO₂S
Molar mass: 183.22 g/mol
Exact mass: 183.0354 Da
logP: 2.71Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

34126-43-7

SMILES

CCSC1=CC=CC(=C1)[N+](=O)[O-]

InChIKey

DIAULDRPQLGWSI-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3

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Names and synonyms

1 names

3-Nitro phenyl ethyl sulfide

Work with Ethyl(3-nitrophenyl)sulfane

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

Bis(3-nitrophenyl) disulfide537-91-765 % similar 1-(Methylthio)-3-nitrobenzene2524-76-764 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-Nitrotoluene99-08-151 % similar 1-(3-Nitrophenyl)-1-propanone17408-16-149 % similar N,N-Dimethyl-3-nitroaniline619-31-849 % similar 3-Nitrochlorobenzene121-73-349 % similar 1-Fluoro-3-nitrobenzene402-67-549 % similar

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

Same formula

2-[(4-Aminophenyl)thio]acetic acid104-18-7

Elsewhere

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