hydroxymethanesulfinate

CH3O3S- — CID 3566445

IUPAChydroxymethanesulfinate
SMILESO=S([O-])CO
InChIInChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)/p-1
InChIKeySBGKURINHGJRFN-UHFFFAOYSA-M
MW95.10 g/mol
LogP-1.18
Rot. Bonds1

About hydroxymethanesulfinate

hydroxymethanesulfinate (PubChem CID 3566445) has the molecular formula CH3O3S- and a molecular weight of 95.10 g/mol. Its IUPAC name is hydroxymethanesulfinate.

Molecular Properties

Compound Namehydroxymethanesulfinate
PubChem CID3566445
Molecular FormulaCH3O3S-
Molecular Weight95.10 g/mol
Exact Mass94.98
IUPAC Namehydroxymethanesulfinate
SMILESO=S([O-])CO
InChIInChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)/p-1
InChIKeySBGKURINHGJRFN-UHFFFAOYSA-M
XLogP-1.18
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 hydroxymethanesulfinate?
The IUPAC name of hydroxymethanesulfinate (CID 3566445) is hydroxymethanesulfinate.
What is the SMILES notation for hydroxymethanesulfinate?
The canonical SMILES for hydroxymethanesulfinate is O=S([O-])CO.
What is the InChIKey of hydroxymethanesulfinate?
The InChIKey is SBGKURINHGJRFN-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O3S/c2-1-5(3)4/h2H,1H2,(H,3,4)/p-1.
What are the key properties of hydroxymethanesulfinate?
hydroxymethanesulfinate has a molecular weight of 95.10 g/mol, XLogP of -1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethanesulfinate is sourced from PubChem (CID 3566445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).