3,5-Diamino-4-methylbenzenesulfonic acid

C₇H₁₀N₂O₃SCAS 98-25-9202.23 g/mol

Open in Covalent MOL file

Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₁₀N₂O₃S
Molar mass: 202.23 g/mol
Exact mass: 202.0412 Da
logP: 0.41Crippen estimate
Polar surface area: 106.4 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 1

Identifiers

CAS number

98-25-9

SMILES

Cc1c(N)cc(S(=O)(=O)O)cc1N

InChIKey

IPQWXJDRMKGSFI-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,8-9H2,1H3,(H,10,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzenesulfonic acid, 3,5-diamino-4-methyl-
p-Toluenesulfonic acid, 3,5-diamino-
2,6-Diaminotoluene-4-sulfonic acid
NSC 43299
3,5-Diamino-4-methylbenzene-1-sulfonic acid

Work with 3,5-Diamino-4-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

3-Amino-4-methylbenzenesulfonic acid618-03-161 % similar 3,4-Diaminobenzenesulfonic acid7474-78-458 % similar 2-Aminophenol-4,6-disulfonic acid120-98-956 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-956 % similar 2-Amino-1,4-benzenedisulfonic acid98-44-255 % similar 3-Amino-4-hydroxybenzenesulfonic acid98-37-353 % similar H Acid90-20-053 % similar 2-Aminoanisole-4-sulfonic acid98-42-053 % similar

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

Same formula

4-Methoxybenzenesulfonic acid hydrazide1950-68-1 3-Amino-4-hydroxy-N-methylbenzenesulfonamide80-23-9

Elsewhere

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