methanesulfonic acid;naphthalene-2-sulfonic acid

C11H12O6S2 — CID 87841078

IUPACmethanesulfonic acid;naphthalene-2-sulfonic acid
SMILESCS(=O)(=O)O.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.CH4O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)4/h1-7H,(H,11,12,13);1H3,(H,2,3,4)
InChIKeyKUIZQXFLQSLGDG-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.59
Rot. Bonds1

About methanesulfonic acid;naphthalene-2-sulfonic acid

methanesulfonic acid;naphthalene-2-sulfonic acid (PubChem CID 87841078) has the molecular formula C11H12O6S2 and a molecular weight of 304.35 g/mol. Its IUPAC name is methanesulfonic acid;naphthalene-2-sulfonic acid.

Molecular Properties

Compound Namemethanesulfonic acid;naphthalene-2-sulfonic acid
PubChem CID87841078
Molecular FormulaC11H12O6S2
Molecular Weight304.35 g/mol
Exact Mass304.01
IUPAC Namemethanesulfonic acid;naphthalene-2-sulfonic acid
SMILESCS(=O)(=O)O.O=S(=O)(O)c1ccc2ccccc2c1
InChIInChI=1S/C10H8O3S.CH4O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)4/h1-7H,(H,11,12,13);1H3,(H,2,3,4)
InChIKeyKUIZQXFLQSLGDG-UHFFFAOYSA-N
XLogP1.59
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

CID 87246277
CID 87246277
naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
CID 87263273
CID 88530425
CID 88530425
Dispersing Agent NNO
CID 156594502
tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
anthracene;ethane;methanesulfonic acid
CID 91545165
sodium;hydride;methanesulfonic acid;naphthalene
CID 174430944
naphthalene-2,3,6-trisulfonic acid
CID 42609669
iron;6-methoxynaphthalene-2-sulfonic acid
CID 87610362
sodium;hydride;6-methylnaphthalene-2-sulfonic acid
CID 173399427

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;naphthalene-2-sulfonic acid?
The IUPAC name of methanesulfonic acid;naphthalene-2-sulfonic acid (CID 87841078) is methanesulfonic acid;naphthalene-2-sulfonic acid.
What is the SMILES notation for methanesulfonic acid;naphthalene-2-sulfonic acid?
The canonical SMILES for methanesulfonic acid;naphthalene-2-sulfonic acid is CS(=O)(=O)O.O=S(=O)(O)c1ccc2ccccc2c1.
What is the InChIKey of methanesulfonic acid;naphthalene-2-sulfonic acid?
The InChIKey is KUIZQXFLQSLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.CH4O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-5(2,3)4/h1-7H,(H,11,12,13);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;naphthalene-2-sulfonic acid?
methanesulfonic acid;naphthalene-2-sulfonic acid has a molecular weight of 304.35 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;naphthalene-2-sulfonic acid is sourced from PubChem (CID 87841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).