1-[(4-Chlorophenyl)thio]-2-nitrobenzene

C₁₂H₈ClNO₂SCAS 6764-10-9265.71 g/mol

Open in Covalent MOL file

Halogen Nitro Sulfide Tertiary Amine

Properties

Molecular formula: C₁₂H₈ClNO₂S
Molar mass: 265.71 g/mol
Exact mass: 264.9964 Da
Melting point: 94 °C
logP: 4.40Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

6764-10-9

SMILES

O=[N+]([O-])c1ccccc1Sc1ccc(Cl)cc1

InChIKey

QDZAHNHWJFQWDL-UHFFFAOYSA-N

InChI

InChI=1S/C12H8ClNO2S/c13-9-5-7-10(8-6-9)17-12-4-2-1-3-11(12)14(15)16/h1-8H

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-[(4-chlorophenyl)thio]-2-nitro-
Sulfide, p-chlorophenyl o-nitrophenyl
2-Nitro-4′-chlorodiphenyl sulfide
NSC 633007
(4-Chlorophenyl)(2-nitrophenyl)sulfane

Work with 1-[(4-Chlorophenyl)thio]-2-nitrobenzene

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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