4-Methoxy-2-nitrophenyl isothiocyanate

C₈H₆N₂O₃SCAS 23165-60-8210.21 g/mol

Open in Covalent MOL file

Ether Isothiocyanate Nitro

Properties

Molecular formula: C₈H₆N₂O₃S
Molar mass: 210.21 g/mol
Exact mass: 210.0099 Da
Melting point: 90 °C
logP: 2.34Crippen estimate
Polar surface area: 64.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

Identifiers

CAS number

23165-60-8

SMILES

COc1ccc(N=C=S)c([N+](=O)[O-])c1

InChIKey

YVARXELMRLSEEG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6N2O3S/c1-13-6-2-3-7(9-5-14)8(4-6)10(11)12/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-isothiocyanato-4-methoxy-2-nitro-
Isothiocyanic acid, 4-methoxy-2-nitrophenyl ester
1-Isothiocyanato-4-methoxy-2-nitrobenzene
1-Isothiocyanato-4-methoxy-2-nitro-benzene

Work with 4-Methoxy-2-nitrophenyl isothiocyanate

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

N-(4-Methoxy-2-nitrophenyl)acetamide119-81-360 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-457 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-556 % similar 4-Methoxy-2-nitroaniline96-96-856 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-355 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-555 % similar 5-Methoxy-2-nitrobenzenamine16133-49-653 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-753 % similar

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

Same formula

1-Isothiocyanato-2-methoxy-4-nitrobenzene190774-55-1

Elsewhere

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