chempirical

Tobias acid

C10H9NO3SCAS 81-16-3223.25 g/mol

Open in Covalent MOL file
H2NSOOHO
Primary amineSulfonic acid

Properties

Molecular formula
C10H9NO3S
Molar mass
223.25 g/mol
Exact mass
223.0303 Da
Melting point
180 °C
logP
1.67Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
81-16-3
SMILES
Nc1ccc2ccccc2c1S(=O)(=O)O
InChIKey
GWIAAIUASRVOIA-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO3S/c11-9-6-5-7-3-1-2-4-8(7)10(9)15(12,13)14/h1-6H,11H2,(H,12,13,14)

Weigh it out

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

Names and synonyms

6 names
  • 1-Naphthalenesulfonic acid, 2-amino-
  • 2-Amino-1-naphthalenesulfonic acid
  • 2-Naphthylamine-1-sulfonic acid
  • 1-Sulfo-2-naphthylamine
  • NSC 5523
  • 2-Aminonaphthalenesulfonic acid

Work with Tobias 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

2-Amino-1,5-naphthalenedisulfonic acid117-62-462 % similar 2-Amino-1,5-naphthalenedisulfonic acid sodium salt19532-03-752 % similar Naphthalene-1-sulfonic acid85-47-251 % similar 2-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid6535-70-250 % similar Orthanilic acid88-21-149 % similar (±)-1,1′-Binaphthyl-2,2′-diamine4488-22-648 % similar 2-Amino-1-naphthol-4-sulfonic acid567-13-546 % similar 2-Amino-1-naphthol hydrochloride41772-23-045 % similar

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

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 5-Amino-2-naphthalenesulfonic acid119-79-9 Probenazole27605-76-1 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 D Acid81-05-0 Peri acid82-75-7 Naphthionic acid84-86-6 Laurent acid84-89-9

Elsewhere

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