hydroxymethanesulfonic acid

CH4O4S — CID 6411

IUPAChydroxymethanesulfonic acid
SMILESO=S(=O)(O)CO
InChIInChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)
InChIKeyDETXZQGDWUJKMO-UHFFFAOYSA-N
MW112.11 g/mol
LogP-1.18
Rot. Bonds1

About hydroxymethanesulfonic acid

hydroxymethanesulfonic acid (PubChem CID 6411) has the molecular formula CH4O4S and a molecular weight of 112.11 g/mol. Its IUPAC name is hydroxymethanesulfonic acid.

Molecular Properties

Compound Namehydroxymethanesulfonic acid
PubChem CID6411
Molecular FormulaCH4O4S
Molecular Weight112.11 g/mol
Exact Mass111.98
IUPAC Namehydroxymethanesulfonic acid
SMILESO=S(=O)(O)CO
InChIInChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5)
InChIKeyDETXZQGDWUJKMO-UHFFFAOYSA-N
XLogP-1.18
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.11
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydroxymethanesulfonic acid
CID 162227916
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
ethanesulfonic acid;hexahydrofluoride
CID 174503180
copper;methanedisulfonic acid
CID 88584534
cobalt;ethanesulfonic acid
CID 162463828
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 6411) is hydroxymethanesulfonic acid.
What is the SMILES notation for hydroxymethanesulfonic acid?
The canonical SMILES for hydroxymethanesulfonic acid is O=S(=O)(O)CO.
What is the InChIKey of hydroxymethanesulfonic acid?
The InChIKey is DETXZQGDWUJKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O4S/c2-1-6(3,4)5/h2H,1H2,(H,3,4,5).
What are the key properties of hydroxymethanesulfonic acid?
hydroxymethanesulfonic acid has a molecular weight of 112.11 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanesulfonic acid is sourced from PubChem (CID 6411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).