chempirical

2-Nitrobenzenesulfenyl chloride

C6H4ClNO2SCAS 7669-54-7189.61 g/mol

Open in Covalent MOL file
ON+O−SCl
Nitro

Properties

Molecular formula
C6H4ClNO2S
Molar mass
189.61 g/mol
Exact mass
188.9651 Da
Melting point
75 °C
logP
2.84Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
7669-54-7
SMILES
O=[N+]([O-])c1ccccc1SCl
InChIKey
NTNKNFHIAFDCSJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO2S/c7-11-6-4-2-1-3-5(6)8(9)10/h1-4H

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Names and synonyms

11 names
  • Benzenesulfenyl chloride, 2-nitro-
  • Benzenesulfenyl chloride, o-nitro-
  • 2-Nitrophenylsulfenyl chloride
  • o-Nitrophenylsulfenyl chloride
  • o-Nitrobenzenesulfenyl chloride
  • o-Nitrobenzenesulphenyl chloride
  • 2-Nitrophenylsulphenyl chloride
  • 2-Nitrobenzenesulfenic acid chloride
  • NSC 16179
  • 1-(Chlorosulfanyl)-2-nitrobenzene
  • (2-Nitrophenyl) thiohypochlorite

Reactions

Work with 2-Nitrobenzenesulfenyl chloride

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(2-nitrophenyl) disulfide1155-00-669 % similar 2-Nitrophenyl phenyl sulfide4171-83-961 % similar 1,2-Dinitrobenzene528-29-059 % similar 1-[(4-Chlorophenyl)thio]-2-nitrobenzene6764-10-957 % similar 2-Nitrochlorobenzene88-73-353 % similar 1-Bromo-2-nitrobenzene577-19-550 % similar 2-Nitrobenzyl chloride612-23-749 % similar 1-Fluoro-2-nitrobenzene1493-27-248 % similar

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

Elsewhere

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