chempirical

2-Amino-3,5-dimethylbenzenesulfonic acid

C8H11NO3SCAS 88-22-2201.24 g/mol

Open in Covalent MOL file
NH2SOOOH
Primary amineSulfonic acid

Properties

Molecular formula
C8H11NO3S
Molar mass
201.24 g/mol
Exact mass
201.0460 Da
logP
1.13Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
88-22-2
SMILES
Cc1cc(C)c(N)c(S(=O)(=O)O)c1
InChIKey
CFCXQQUQLZIZPI-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO3S/c1-5-3-6(2)8(9)7(4-5)13(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

10 names
  • Benzenesulfonic acid, 2-amino-3,5-dimethyl-
  • 3,5-Xylenesulfonic acid, 2-amino-
  • C.I. 24855
  • 2-Amino-3,5-xylenesulfonic acid
  • 1-Amino-2,4-dimethylbenzene-6-sulfonic acid
  • 4,6-Dimethylaniline-2-sulfonic acid
  • NSC 7548
  • 2,4-Dimethyl-6-sulfoaniline
  • 2,4-Dimethylaniline-6-sulfonic acid
  • 2-Amino-3,5-dimethylbenzene-1-sulfonic acid

Work with 2-Amino-3,5-dimethylbenzenesulfonic 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

Similar compounds

Sodium 2,4-dimethylaniline-6-sulfonate64501-85-558 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-658 % similar 2,5-Dimethylbenzenesulfonic acid609-54-157 % similar 2,4-Dimethylbenzenesulfonic acid88-61-957 % similar 2-Amino-5-methylbenzenesulfonic acid88-44-854 % similar 2,4,6-Trimethylaniline88-05-153 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-750 % similar 2-Amino-4-chloro-5-methylbenzenesulfonic acid88-51-746 % similar

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

Same formula

3-(1-Pyridinio)-1-propanesulfonate15471-17-7 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-8

Elsewhere

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