chempirical

6-Methoxy-M-toluenesulfonyl chloride

C8H9ClO3SCAS 88040-86-2220.67 g/mol

Open in Covalent MOL file
OSOOCl
Ether

Properties

Molecular formula
C8H9ClO3S
Molar mass
220.67 g/mol
Exact mass
219.9961 Da
logP
1.93Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
88040-86-2
SMILES
CC1=CC(=C(C=C1)OC)S(=O)(=O)Cl
InChIKey
BJYNYQGJTZULJI-UHFFFAOYSA-N
InChI
InChI=1S/C8H9ClO3S/c1-6-3-4-7(12-2)8(5-6)13(9,10)11/h3-5H,1-2H3

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Work with 6-Methoxy-M-toluenesulfonyl 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

2,5-Dimethoxybenzenesulfonyl chloride1483-28-969 % similar 5-Chloro-2-methoxybenzenesulfonyl chloride22952-32-567 % similar 5-Bromo-2-methoxybenzenesulfonyl chloride23095-05-865 % similar 2-Methoxybenzenesulfonyl chloride10130-87-760 % similar 2,5-Dimethylbenzenesulfonyl chloride19040-62-160 % similar 2-Fluoro-5-methylbenzenesulfonyl chloride870704-14-657 % similar 2,4-Dimethylbenzenesulfonyl chloride609-60-956 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-255 % similar

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

Same formula

4-Ethoxy-benzenesulfonyl chloride1132-17-8

Elsewhere

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