methanesulfonic acid;methanetriol

C2H8O6S — CID 174918384

IUPACmethanesulfonic acid;methanetriol
SMILESCS(=O)(=O)O.OC(O)O
InChIInChI=1S/CH4O3S.CH4O3/c1-5(2,3)4;2-1(3)4/h1H3,(H,2,3,4);1-4H
InChIKeyOCLYUVIVQGNDAN-UHFFFAOYSA-N
MW160.15 g/mol
LogP-2.25
Rot. Bonds

About methanesulfonic acid;methanetriol

methanesulfonic acid;methanetriol (PubChem CID 174918384) has the molecular formula C2H8O6S and a molecular weight of 160.15 g/mol. Its IUPAC name is methanesulfonic acid;methanetriol.

Molecular Properties

Compound Namemethanesulfonic acid;methanetriol
PubChem CID174918384
Molecular FormulaC2H8O6S
Molecular Weight160.15 g/mol
Exact Mass160.00
IUPAC Namemethanesulfonic acid;methanetriol
SMILESCS(=O)(=O)O.OC(O)O
InChIInChI=1S/CH4O3S.CH4O3/c1-5(2,3)4;2-1(3)4/h1H3,(H,2,3,4);1-4H
InChIKeyOCLYUVIVQGNDAN-UHFFFAOYSA-N
XLogP-2.25
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 5-2.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 87129852
CID 87129852
hydron;methanesulfonic acid
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methanesulfonic acid;hydrate
CID 87278985
methanesulfonic acid;stibane
CID 173129060
ethane;methanesulfonic acid
CID 87194848
CID 72786756
CID 72786756
methane;methanesulfonic acid
CID 87535456
chloroform;methanesulfonic acid
CID 158495186
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
sodium;methanesulfonic acid;iodide
CID 87541742
methanesulfonic acid;samarium(3+);trifluoride
CID 160663065

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;methanetriol?
The IUPAC name of methanesulfonic acid;methanetriol (CID 174918384) is methanesulfonic acid;methanetriol.
What is the SMILES notation for methanesulfonic acid;methanetriol?
The canonical SMILES for methanesulfonic acid;methanetriol is CS(=O)(=O)O.OC(O)O.
What is the InChIKey of methanesulfonic acid;methanetriol?
The InChIKey is OCLYUVIVQGNDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S.CH4O3/c1-5(2,3)4;2-1(3)4/h1H3,(H,2,3,4);1-4H.
What are the key properties of methanesulfonic acid;methanetriol?
methanesulfonic acid;methanetriol has a molecular weight of 160.15 g/mol, XLogP of -2.25, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;methanetriol is sourced from PubChem (CID 174918384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).