4-Amino-3-methylbenzenesulfonic acid

C₇H₉NO₃SCAS 98-33-9187.21 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₉NO₃S
Molar mass: 187.21 g/mol
Exact mass: 187.0303 Da
logP: 0.82Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

98-33-9

SMILES

Cc1cc(S(=O)(=O)O)ccc1N

InChIKey

WQTCZINVPXJNEL-UHFFFAOYSA-N

InChI

InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)

Weigh it out

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

Names and synonyms

8 names

Benzenesulfonic acid, 4-amino-3-methyl-
m-Toluenesulfonic acid, 4-amino-
2-Amino-5-toluenesulfonic acid
4-Amino-m-toluenesulfonic acid
6-Aminotoluene-3-sulfonic acid
2-Methyl-4-sulfoaniline
2-Methylaniline-4-sulfonic acid
NSC 7545

Work with 4-Amino-3-methylbenzenesulfonic 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

Aniline-2,4-disulfonic acid137-51-969 % similar 3,4-Diaminobenzenesulfonic acid7474-78-468 % similar 4-Amino-3-methylbenzenesulfonamide53297-70-462 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-259 % similar 5-Sulfoanthranilic acid3577-63-758 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-357 % similar 2-Aminoanisole-4-sulfonic acid98-42-057 % similar 3,5-Diamino-4-methylbenzenesulfonic acid98-25-956 % similar

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

Same formula

4-Methoxybenzenesulfonamide1129-26-6 5-Amino-2-methylbenzenesulfonic acid118-88-7 4-Pyridineethanesulfonic acid53054-76-5 3-Amino-4-methylbenzenesulfonic acid618-03-1 2-Pyridineethanesulfonic acid68922-18-9 2-Amino-5-methylbenzenesulfonic acid88-44-8 2-Amino-4-(methylsulfonyl)phenol98-30-6

Elsewhere

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