chempirical

3,5-Diamino-2,4,6-trimethylbenzenesulfonic acid

C9H14N2O3SCAS 32432-55-6230.28 g/mol

Open in Covalent MOL file
H2NSOOOHH2N
Primary amineSulfonic acid

Properties

Molecular formula
C9H14N2O3S
Molar mass
230.28 g/mol
Exact mass
230.0725 Da
logP
1.02Crippen estimate
Polar surface area
106.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
32432-55-6
SMILES
Cc1c(N)c(C)c(S(=O)(=O)O)c(C)c1N
InChIKey
PKKGGWLTUCMSSD-UHFFFAOYSA-N
InChI
InChI=1S/C9H14N2O3S/c1-4-7(10)5(2)9(15(12,13)14)6(3)8(4)11/h10-11H2,1-3H3,(H,12,13,14)

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Names and synonyms

5 names
  • Benzenesulfonic acid, 3,5-diamino-2,4,6-trimethyl-
  • Diaminomesitylenesulfonic acid
  • 2,4-Diamino-1,3,5-trimethylbenzene-6-sulfonic acid
  • 2,6-Diamino-1,3,5-trimethylbenzene-4-sulfonic acid
  • 2,4-Diaminomesitylene-6-sulfonic acid

Work with 3,5-Diamino-2,4,6-trimethylbenzenesulfonic 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

3,5-Diamino-4-methylbenzenesulfonic acid98-25-945 % similar 2-Amino-3,5-dimethylbenzenesulfonic acid88-22-244 % similar 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-242 % similar 2,4,6-Trimethylbenzenesulfonic acid3453-83-639 % similar 2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-836 % similar 5-Amino-2-methylbenzenesulfonic acid118-88-734 % similar 3-Amino-4-methylbenzenesulfonic acid618-03-134 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-934 % similar

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

Same formula

4-Amino-5-methoxy-N,2-dimethylbenzenesulfonamide49564-57-0

Elsewhere

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