Sodium 1-methyl 3-sulfinopropionate

C₄H₇NaO₄SCAS 90030-48-1174.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₇NaO₄S
Molar mass: 174.15 g/mol
Exact mass: 173.9963 Da
logP: -3.57Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 0 / 4
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

90030-48-1

SMILES

COC(=O)CCS(=O)[O-].[Na+]

InChIKey

YICFALDKKMHFLT-UHFFFAOYSA-M

InChI

InChI=1S/C4H8O4S.Na/c1-8-4(5)2-3-9(6)7;/h2-3H2,1H3,(H,6,7);/q;+1/p-1

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Names and synonyms

1 names

Sodium 3-methoxy-3-oxopropane-1-sulfinate

Work with Sodium 1-methyl 3-sulfinopropionate

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

Dimethyl succinate106-65-048 % similar Dimethyl glutarate1119-40-047 % similar Methyl 3-hydroxypropanoate6149-41-345 % similar Dimethyladipate627-93-045 % similar Dimethyl sebacate106-79-644 % similar Dimethyl octadecanedioate1472-93-144 % similar 1,12-Dimethyl dodecanedioate1731-79-944 % similar Dimethyl pimelate1732-08-744 % similar

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

Elsewhere

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