Naphthalene-2-sulfonic acid hydrate

C₁₀H₁₀O₄SCAS 6036-00-6226.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O₄S
Molar mass: 226.25 g/mol
Exact mass: 226.0300 Da
logP: 1.26Crippen estimate
Polar surface area: 85.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

6036-00-6

SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O.O

InChIKey

HKGOFWIZZIYCOS-UHFFFAOYSA-N

InChI

InChI=1S/C10H8O3S.H2O/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12,13);1H2

Weigh it out

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

Work with Naphthalene-2-sulfonic acid hydrate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Naphthalene-2-sulfonic acid120-18-3Anhydrous Sodium 2-naphthalenesulfonate532-02-5Salt

Similar compounds

2,6-Naphthalenedisulfonic acid581-75-974 % similar 2,7-Naphthalenedisulfonic acid92-41-171 % similar 2-Naphthol-6-sulfonic acid93-01-661 % similar 6-Amino-2-naphthalenesulfonic acid93-00-559 % similar 8-Amino-2-naphthalenesulfonic acid119-28-853 % similar 5-Amino-2-naphthalenesulfonic acid119-79-953 % similar Naphthalene-2-sulfonamide1576-47-250 % similar p-Toluenesulfonic acid monohydrate6192-52-550 % similar

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

Same formula

2,2-Dimethyl-5-(3-thienyl)-1,3-dioxane-4,6-dione61857-83-8

Elsewhere

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