Sodium 4-acetamidobenzene-1-sulfinate

C8H8NNaO3SCAS 15898-43-8221.21 g/mol

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OHNSOO−Na+
Amide

Properties

Molecular formula
C8H8NNaO3S
Molar mass
221.21 g/mol
Exact mass
221.0123 Da
logP
-2.11Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
15898-43-8
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)[O-].[Na+]
InChIKey
CPCFZBOTLAEGND-UHFFFAOYSA-M
InChI
InChI=1S/C8H9NO3S.Na/c1-6(10)9-7-2-4-8(5-3-7)13(11)12;/h2-5H,1H3,(H,9,10)(H,11,12);/q;+1/p-1

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Names and synonyms

1 names
  • 4-Acetamidobenzenesulfinic acid sodium salt

Work with Sodium 4-acetamidobenzene-1-sulfinate

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 p-toluenesulfinate824-79-351 % similar P-Toluenesulfinic acid sodium salt tetrahydrate868858-48-448 % similar Sodium p-chlorobenzenesulfinate14752-66-047 % similar Sodium p-fluorobenzenesulfinate824-80-647 % similar Sodium benzenesulfinate873-55-247 % similar 4'-tert-Butylacetanilide20330-45-445 % similar 4-Acetamidophenylboronic acid101251-09-644 % similar 4-Acetaminobenzyl alcohol16375-88-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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