S Acid

C10H9NO4SCAS 83-64-7239.25 g/mol

Open in Covalent MOL file
H2NSOOOHHO
PhenolPrimary amineSulfonic acid

Properties

Molecular formula
C10H9NO4S
Molar mass
239.25 g/mol
Exact mass
239.0252 Da
logP
1.37Crippen estimate
Polar surface area
100.6 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
83-64-7
SMILES
Nc1ccc(S(=O)(=O)O)c2cccc(O)c12
InChIKey
LRDIEHDJWYRVPT-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO4S/c11-7-4-5-9(16(13,14)15)6-2-1-3-8(12)10(6)7/h1-5,12H,11H2,(H,13,14,15)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-
  • 1-Naphthol-5-sulfonic acid, 8-amino-
  • 4-Amino-5-hydroxy-1-naphthalenesulfonic acid
  • Aminonaphthol sulfonic acid S
  • 4-Amino-5-naphthol-1-sulfonic acid
  • 8-Amino-1-naphthol-5-sulfonic acid
  • Chicago acid S
  • 1-Amino-8-hydroxy-4-naphthalenesulfonic acid
  • 1-Amino-8-naphthol-4-sulfonic acid
  • NSC 10434
  • NSC 178276
  • NSC 7555
  • 8-Amino-1-hydroxynaphthalene-5-sulfonic acid

Work with S 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

4-Amino-5-hydroxy-1,7-naphthalenedisulfonic acid130-23-466 % similar Naphthionic acid84-86-662 % similar L Acid117-59-959 % similar Laurent acid84-89-958 % similar 2-Amino-1,5-naphthalenedisulfonic acid117-62-456 % similar 1-Naphthol-4-sulfonic acid84-87-755 % similar 1-Naphthol-8-sulfonic acid117-22-654 % similar 8-Amino-1-naphthol-5,7-disulfonic acid monosodium salt52789-62-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Amino-2-naphthol-4-sulfonic acid116-63-2 8-Amino-4-hydroxynaphthalene-2-sulphonic acid489-78-1 2-Amino-1-naphthol-4-sulfonic acid567-13-5 7-Amino-4-hydroxy-2-naphthalenesulfonic acid87-02-5 Gamma acid90-51-7

Elsewhere

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