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C6H11KO4S3CAS 93841-14-6282.43 g/mol

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SulfideSulfonic acid

Properties

Molecular formula
C6H11KO4S3
Molar mass
282.43 g/mol
Exact mass
281.9457 Da
logP
0.94Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
5

Identifiers

CAS number
93841-14-6
SMILES
CCOC(=S)SCCCS([O-])(=O)=O.[K+]
InChIKey
YYMMOQWBXFQZAB-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O4S3.K/c1-2-10-6(11)12-4-3-5-13(7,8)9;/h2-5H2,1H3,(H,7,8,9);

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Names and synonyms

2 names
  • 1-Propanesulfonic acid, 3-[(ethoxythioxomethyl)thio]-, potassium salt (1:1)
  • 1-Propanesulfonic acid, 3-[(ethoxythioxomethyl)thio]-, potassium salt

Work with Raschig OPX

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 3-[[(dimethylamino)thioxomethyl]thio]propanesulfonate18880-36-946 % similar 3-Sulfopropyl methacrylate potassium salt31098-21-239 % similar Diethyl dixanthogen disulfide502-55-638 % similar Bis(sodium sulfopropyl) disulfide27206-35-538 % similar Sodium 1-butanesulfonate2386-54-135 % similar Sodium pentanesulfonate22767-49-334 % similar Sodium decanesulfonate13419-61-933 % similar Sodium hexadecylsulfonate15015-81-333 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook