chempirical

4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride

C10H13ClO3SCAS 80745-07-9248.72 g/mol

Open in Covalent MOL file
SOOClO
Ether

Properties

Molecular formula
C10H13ClO3S
Molar mass
248.72 g/mol
Exact mass
248.0274 Da
logP
2.55Crippen 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
80745-07-9
SMILES
CC1=CC(=C(C(=C1S(=O)(=O)Cl)C)C)OC
InChIKey
DWLYVEYCCPEHLX-UHFFFAOYSA-N
InChI
InChI=1S/C10H13ClO3S/c1-6-5-9(14-4)7(2)8(3)10(6)15(11,12)13/h5H,1-4H3

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Work with 4-Methoxy-2,3,6-trimethylbenzenesulfonyl 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

2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-054 % similar Mesitylenesulfonyl chloride773-64-850 % similar Pentamethylbenzenesulfonyl chloride52499-94-248 % similar 4-Methoxy-2,3,6-trimethylbenzaldehyde54344-92-248 % similar 6-Methoxy-M-toluenesulfonyl chloride88040-86-245 % similar 3,4-Dimethoxybenzenesulfonyl chloride23095-31-045 % similar 2,5-Dimethoxybenzenesulfonyl chloride1483-28-943 % similar 2,4-Dimethoxybenzenesulfonyl chloride63624-28-243 % similar

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

Same formula

4-Butoxybenzenesulfonyl chloride1138-56-3

Elsewhere

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