hydroxymethanesulfinic acid

CH4O3S — CID 9000

IUPAChydroxymethanesulfinic acid
SMILESO=S(O)CO
InChIInChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)
InChIKeySBGKURINHGJRFN-UHFFFAOYSA-N
MW96.11 g/mol
LogP-0.84
Rot. Bonds1

About hydroxymethanesulfinic acid

hydroxymethanesulfinic acid (PubChem CID 9000) has the molecular formula CH4O3S and a molecular weight of 96.11 g/mol. Its IUPAC name is hydroxymethanesulfinic acid.

Molecular Properties

Compound Namehydroxymethanesulfinic acid
PubChem CID9000
Molecular FormulaCH4O3S
Molecular Weight96.11 g/mol
Exact Mass95.99
IUPAC Namehydroxymethanesulfinic acid
SMILESO=S(O)CO
InChIInChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)
InChIKeySBGKURINHGJRFN-UHFFFAOYSA-N
XLogP-0.84
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxymethanesulfinic acid?
The IUPAC name of hydroxymethanesulfinic acid (CID 9000) is hydroxymethanesulfinic acid.
What is the SMILES notation for hydroxymethanesulfinic acid?
The canonical SMILES for hydroxymethanesulfinic acid is O=S(O)CO.
What is the InChIKey of hydroxymethanesulfinic acid?
The InChIKey is SBGKURINHGJRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4).
What are the key properties of hydroxymethanesulfinic acid?
hydroxymethanesulfinic acid has a molecular weight of 96.11 g/mol, XLogP of -0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanesulfinic acid is sourced from PubChem (CID 9000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).