chempirical

Cresidinesulfonic acid

C8H11NO4SCAS 6471-78-9217.24 g/mol

Open in Covalent MOL file
OSOOHOH2N
AlcoholPrimary AmineSulfone

Properties

Molecular formula
C8H11NO4S
Molar mass
217.24 g/mol
Exact mass
217.0409 Da
logP
0.83Crippen estimate
Polar surface area
89.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
6471-78-9
SMILES
COc1cc(S(=O)(=O)O)c(C)cc1N
InChIKey
JBAVAJIXZVRJHT-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO4S/c1-5-3-6(9)7(13-2)4-8(5)14(10,11)12/h3-4H,9H2,1-2H3,(H,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Benzenesulfonic acid, 4-amino-5-methoxy-2-methyl-
  • o-Toluenesulfonic acid, 4-amino-5-methoxy-
  • 4-Amino-5-methoxy-2-methylbenzenesulfonic acid
  • Cresidine-p-sulfonic acid
  • 2-Methyl-4-amino-5-methoxybenzenesulfonic acid
  • 4-Amino-5-methoxy-o-toluenesulfonic acid
  • 2-Methoxy-5-methyl-4-sulfoaniline

Work with Cresidinesulfonic acid

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

Same formula

2,5-Dimethoxybenzenesulfonamide19116-90-6 1-(2-Hydroxy-3-sulfopropyl)pyridinium betaine3918-73-8

Elsewhere

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