methanesulfonic acid;hydrate

C2H10O7S2 — CID 87278985

IUPACmethanesulfonic acid;hydrate
SMILESCS(=O)(=O)O.CS(=O)(=O)O.O
InChIInChI=1S/2CH4O3S.H2O/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);1H2
InChIKeyQLYCZINKZANMRY-UHFFFAOYSA-N
MW210.23 g/mol
LogP-1.82
Rot. Bonds

About methanesulfonic acid;hydrate

methanesulfonic acid;hydrate (PubChem CID 87278985) has the molecular formula C2H10O7S2 and a molecular weight of 210.23 g/mol. Its IUPAC name is methanesulfonic acid;hydrate.

Molecular Properties

Compound Namemethanesulfonic acid;hydrate
PubChem CID87278985
Molecular FormulaC2H10O7S2
Molecular Weight210.23 g/mol
Exact Mass209.99
IUPAC Namemethanesulfonic acid;hydrate
SMILESCS(=O)(=O)O.CS(=O)(=O)O.O
InChIInChI=1S/2CH4O3S.H2O/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);1H2
InChIKeyQLYCZINKZANMRY-UHFFFAOYSA-N
XLogP-1.82
TPSA140.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-1.82
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

azane;methanesulfonic acid;hydrate
CID 141152760
methanesulfonic acid;hydrate;hydrochloride
CID 140967673
CID 72786756
CID 72786756
hydron;methanesulfonic acid
CID 19767432
methanesulfonic acid;stibane
CID 173129060
CID 87129852
CID 87129852
ethane;methanesulfonic acid
CID 87194848
methane;methanesulfonic acid
CID 87535456
methanesulfonic acid;yttrium;hydrofluoride
CID 174922283
sodium;methanesulfonic acid;iodide
CID 87541742
alumane;methanesulfonic acid;hydrofluoride
CID 174812209
hafnium;methanesulfonic acid;hydrofluoride
CID 174915854

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;hydrate?
The IUPAC name of methanesulfonic acid;hydrate (CID 87278985) is methanesulfonic acid;hydrate.
What is the SMILES notation for methanesulfonic acid;hydrate?
The canonical SMILES for methanesulfonic acid;hydrate is CS(=O)(=O)O.CS(=O)(=O)O.O.
What is the InChIKey of methanesulfonic acid;hydrate?
The InChIKey is QLYCZINKZANMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4O3S.H2O/c2*1-5(2,3)4;/h2*1H3,(H,2,3,4);1H2.
What are the key properties of methanesulfonic acid;hydrate?
methanesulfonic acid;hydrate has a molecular weight of 210.23 g/mol, XLogP of -1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;hydrate is sourced from PubChem (CID 87278985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).