3-Bromopropanesulfonic acid sodium salt

C₃H₆BrNaO₃SCAS 55788-44-8225.03 g/mol

Open in Covalent MOL file

Alkyl halide Sulfonic acid

Properties

Molecular formula: C₃H₆BrNaO₃S
Molar mass: 225.03 g/mol
Exact mass: 223.9119 Da
logP: -2.68Crippen estimate
Polar surface area: 57.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

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

55788-44-8

SMILES

C(CS(=O)(=O)[O-])CBr.[Na+]

InChIKey

LNZDAVYFINUYOH-UHFFFAOYSA-M

InChI

InChI=1S/C3H7BrO3S.Na/c4-2-1-3-8(5,6)7;/h1-3H2,(H,5,6,7);/q;+1/p-1

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Names and synonyms

1 names

Sodium 3-bromopropanesulfonate

Work with 3-Bromopropanesulfonic acid sodium salt

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

Sodium 2-bromoethanesulfonate4263-52-975 % similar 1,3-Propanedisulfonic acid disodium salt36589-58-970 % similar Disodium butane-1,4-disulfonate36589-61-470 % similar Disodium 1,2-ethanedisulfonate5325-43-961 % similar Sodium 3-mercapto-1-propanesulfonate17636-10-157 % similar Sodium 1-butanesulfonate2386-54-157 % similar Bis(sodium sulfopropyl) disulfide27206-35-557 % similar Sodium pentanesulfonate22767-49-355 % similar

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

Elsewhere

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