Sodium 4-acetamidobenzene-1-sulfinate

C₈H₈NNaO₃SCAS 15898-43-8221.21 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈NNaO₃S
Molar mass: 221.21 g/mol
Exact mass: 221.0123 Da
logP: -2.11Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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 Sodium p-chlorobenzenesulfinate14752-66-047 % similar Sodium p-fluorobenzenesulfinate824-80-647 % similar Sodium benzenesulfinate873-55-247 % similar 4-Acetamidophenylboronic acid101251-09-644 % similar Zinc 4-methylbenzenesulfinate24345-02-644 % similar Zinc benzenesulfinate24308-84-739 % similar 4'-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)acetanilide214360-60-839 % similar

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

Elsewhere

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