benzene-1,4-diol;methanesulfonic acid

C8H14O8S2 — CID 71340413

IUPACbenzene-1,4-diol;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CH4O3S/c7-5-1-2-6(8)4-3-5;2*1-5(2,3)4/h1-4,7-8H;2*1H3,(H,2,3,4)
InChIKeyAAKBGPWEPYJQHC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.11
Rot. Bonds

About benzene-1,4-diol;methanesulfonic acid

benzene-1,4-diol;methanesulfonic acid (PubChem CID 71340413) has the molecular formula C8H14O8S2 and a molecular weight of 302.33 g/mol. Its IUPAC name is benzene-1,4-diol;methanesulfonic acid.

Molecular Properties

Compound Namebenzene-1,4-diol;methanesulfonic acid
PubChem CID71340413
Molecular FormulaC8H14O8S2
Molecular Weight302.33 g/mol
Exact Mass302.01
IUPAC Namebenzene-1,4-diol;methanesulfonic acid
SMILESCS(=O)(=O)O.CS(=O)(=O)O.Oc1ccc(O)cc1
InChIInChI=1S/C6H6O2.2CH4O3S/c7-5-1-2-6(8)4-3-5;2*1-5(2,3)4/h1-4,7-8H;2*1H3,(H,2,3,4)
InChIKeyAAKBGPWEPYJQHC-UHFFFAOYSA-N
XLogP0.11
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;methanesulfonic acid?
The IUPAC name of benzene-1,4-diol;methanesulfonic acid (CID 71340413) is benzene-1,4-diol;methanesulfonic acid.
What is the SMILES notation for benzene-1,4-diol;methanesulfonic acid?
The canonical SMILES for benzene-1,4-diol;methanesulfonic acid is CS(=O)(=O)O.CS(=O)(=O)O.Oc1ccc(O)cc1.
What is the InChIKey of benzene-1,4-diol;methanesulfonic acid?
The InChIKey is AAKBGPWEPYJQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.2CH4O3S/c7-5-1-2-6(8)4-3-5;2*1-5(2,3)4/h1-4,7-8H;2*1H3,(H,2,3,4).
What are the key properties of benzene-1,4-diol;methanesulfonic acid?
benzene-1,4-diol;methanesulfonic acid has a molecular weight of 302.33 g/mol, XLogP of 0.11, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;methanesulfonic acid is sourced from PubChem (CID 71340413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).