chempirical

3,5-Dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3SCAS 80466-79-1195.62 g/mol

Open in Covalent MOL file
NOSOOCl

Properties

Molecular formula
C5H6ClNO3S
Molar mass
195.62 g/mol
Exact mass
194.9757 Da
logP
1.22Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
80466-79-1
SMILES
CC1=C(C(=NO1)C)S(=O)(=O)Cl
InChIKey
GZLPFEYTAAXJCP-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClNO3S/c1-3-5(11(6,8)9)4(2)10-7-3/h1-2H3

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Work with 3,5-Dimethylisoxazole-4-sulfonyl 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

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-143 % similar Pentamethylbenzenesulfonyl chloride52499-94-242 % similar 3,5-Dimethylisoxazole-4-carbonyl chloride31301-45-841 % similar 4-(Chloromethyl)-3,5-dimethylisoxazole19788-37-540 % similar 3,5-Dimethyl-4-isoxazolecarbaldehyde54593-26-940 % similar 4-Iodo-3,5-dimethylisoxazole10557-85-439 % similar 4-Bromo-3,5-dimethylisoxazole10558-25-539 % similar 4-Amino-3,5-dimethylisoxazole31329-64-339 % similar

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

Elsewhere

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