Isobutanesulfonyl chloride

C₄H₉ClO₂SCAS 35432-36-1156.62 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₉ClO₂S
Molar mass: 156.62 g/mol
Exact mass: 156.0012 Da
logP: 1.21Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

35432-36-1

SMILES

CC(C)CS(=O)(=O)Cl

InChIKey

NQLNHTOCFWUYQE-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

1 name

1-Propanesulfonyl chloride, 2-methyl-

Work with Isobutanesulfonyl 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

Ethanesulfonyl chloride594-44-543 % similar Propanesulfonyl chloride10147-36-140 % similar 1-Chloromethanesulfonyl chloride3518-65-839 % similar Isobutyl chloride513-36-036 % similar 2-Chloroethanesulfonyl chloride1622-32-836 % similar 2-(Trimethylsilyl)ethane-1-sulfonyl chloride106018-85-336 % similar 2-Methoxy-1-ethanesulfonyl chloride51517-01-236 % similar 1-Hexadecanesulfonyl chloride38775-38-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butanesulfonyl chloride2386-60-9 1-Chloro-3-methanesulfonyl-propane54533-11-8

Elsewhere

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