hydroxymethanesulfonic acid

C2H8O8S2 — CID 162227916

IUPAChydroxymethanesulfonic acid
SMILESO=S(=O)(O)CO.O=S(=O)(O)CO
InChIInChI=1S/2CH4O4S/c2*2-1-6(3,4)5/h2*2H,1H2,(H,3,4,5)
InChIKeyZUZUERILVHAOCD-UHFFFAOYSA-N
MW224.21 g/mol
LogP-2.35
Rot. Bonds2

About hydroxymethanesulfonic acid

hydroxymethanesulfonic acid (PubChem CID 162227916) has the molecular formula C2H8O8S2 and a molecular weight of 224.21 g/mol. Its IUPAC name is hydroxymethanesulfonic acid.

Molecular Properties

Compound Namehydroxymethanesulfonic acid
PubChem CID162227916
Molecular FormulaC2H8O8S2
Molecular Weight224.21 g/mol
Exact Mass223.97
IUPAC Namehydroxymethanesulfonic acid
SMILESO=S(=O)(O)CO.O=S(=O)(O)CO
InChIInChI=1S/2CH4O4S/c2*2-1-6(3,4)5/h2*2H,1H2,(H,3,4,5)
InChIKeyZUZUERILVHAOCD-UHFFFAOYSA-N
XLogP-2.35
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanesulfonic acid
CID 6411
CID 172781724
CID 172781724
potassium;hydride;hydroxymethanesulfonic acid
CID 173317196
sodium;hydride;hydroxymethanesulfonic acid;dihydrate
CID 173100137
1,1,2,2,3,3-hexadeuteriopropane-1,3-disulfonic acid
CID 169439747
2-hydroxyethanesulfonic acid;silver
CID 87209091
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
copper;methanedisulfonic acid
CID 88584534
cobalt;ethanesulfonic acid
CID 162463828
ethanesulfonic acid;hexahydrofluoride
CID 174503180
ethane-1,2-disulfonic acid;methane
CID 161397392
ethanesulfonic acid;zinc
CID 87105443

Frequently Asked Questions

What is the IUPAC name of hydroxymethanesulfonic acid?
The IUPAC name of hydroxymethanesulfonic acid (CID 162227916) is hydroxymethanesulfonic acid.
What is the SMILES notation for hydroxymethanesulfonic acid?
The canonical SMILES for hydroxymethanesulfonic acid is O=S(=O)(O)CO.O=S(=O)(O)CO.
What is the InChIKey of hydroxymethanesulfonic acid?
The InChIKey is ZUZUERILVHAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH4O4S/c2*2-1-6(3,4)5/h2*2H,1H2,(H,3,4,5).
What are the key properties of hydroxymethanesulfonic acid?
hydroxymethanesulfonic acid has a molecular weight of 224.21 g/mol, XLogP of -2.35, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanesulfonic acid is sourced from PubChem (CID 162227916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).