2-(Cyclohexylthio)-5-nitrobenzaldehyde

C₁₃H₁₅NO₃SCAS 175278-46-3265.33 g/mol

Open in Covalent MOL file

Aldehyde Nitro Sulfide

Properties

Molecular formula: C₁₃H₁₅NO₃S
Molar mass: 265.33 g/mol
Exact mass: 265.0773 Da
logP: 3.83Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 4

Identifiers

CAS number

175278-46-3

SMILES

O=Cc1cc([N+](=O)[O-])ccc1SC1CCCCC1

InChIKey

KKPVOEAECFNQNB-UHFFFAOYSA-N

InChI

InChI=1S/C13H15NO3S/c15-9-10-8-11(14(16)17)6-7-13(10)18-12-4-2-1-3-5-12/h6-9,12H,1-5H2

Weigh it out

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

Names and synonyms

5 names

Benzaldehyde, 2-(cyclohexylthio)-5-nitro-
6-Cyclohexylthio-3-nitrobenzaldehyde
2-Cyclohexylsulfanyl-5-nitrobenzaldehyde
2-(Cyclohexylsulfanyl)-5-nitrobenzaldehyde
2-(Cyclohexylsulfanyl)-5-nitrobenzenecarbaldehyde

Work with 2-(Cyclohexylthio)-5-nitrobenzaldehyde

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

Elsewhere

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