5-Isoquinolinesulfonic acid

C₉H₇NO₃SCAS 27655-40-9209.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₇NO₃S
Molar mass: 209.22 g/mol
Exact mass: 209.0147 Da
logP: 1.48Crippen estimate
Polar surface area: 67.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

27655-40-9

SMILES

O=S(=O)(O)c1cccc2cnccc12

InChIKey

YFMJTLUPSMCTOQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13)

Weigh it out

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

Names and synonyms

1 names

NSC 49176

Work with 5-Isoquinolinesulfonic 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

Naphthalene-1-sulfonic acid85-47-264 % similar 5-Isoquinolinesulfonyl chloride84468-15-562 % similar Armstrong'S acid81-04-956 % similar D Acid81-05-053 % similar 1,5-Naphthalenedisulfonic acid, hydrate (1:4)211366-30-251 % similar 5-Hydroxyisoquinoline2439-04-550 % similar H-9 Dihydrochloride116700-36-848 % similar L Acid117-59-947 % similar

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

Same formula

8-Quinolinesulfonic acid85-48-3

Elsewhere

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