ethenesulfinate;methane

C3H7O2S- — CID 174592359

IUPACethenesulfinate;methane
SMILESC.C=CS(=O)[O-]
InChIInChI=1S/C2H4O2S.CH4/c1-2-5(3)4;/h2H,1H2,(H,3,4);1H4/p-1
InChIKeyAIELPNVTFKHBJY-UHFFFAOYSA-M
MW107.15 g/mol
LogP0.65
Rot. Bonds1

About ethenesulfinate;methane

ethenesulfinate;methane (PubChem CID 174592359) has the molecular formula C3H7O2S- and a molecular weight of 107.15 g/mol. Its IUPAC name is ethenesulfinate;methane.

Molecular Properties

Compound Nameethenesulfinate;methane
PubChem CID174592359
Molecular FormulaC3H7O2S-
Molecular Weight107.15 g/mol
Exact Mass107.02
IUPAC Nameethenesulfinate;methane
SMILESC.C=CS(=O)[O-]
InChIInChI=1S/C2H4O2S.CH4/c1-2-5(3)4;/h2H,1H2,(H,3,4);1H4/p-1
InChIKeyAIELPNVTFKHBJY-UHFFFAOYSA-M
XLogP0.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.15
LogP ≤ 50.65
H-Bond Donors ≤ 50
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 ethenesulfinate;methane?
The IUPAC name of ethenesulfinate;methane (CID 174592359) is ethenesulfinate;methane.
What is the SMILES notation for ethenesulfinate;methane?
The canonical SMILES for ethenesulfinate;methane is C.C=CS(=O)[O-].
What is the InChIKey of ethenesulfinate;methane?
The InChIKey is AIELPNVTFKHBJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O2S.CH4/c1-2-5(3)4;/h2H,1H2,(H,3,4);1H4/p-1.
What are the key properties of ethenesulfinate;methane?
ethenesulfinate;methane has a molecular weight of 107.15 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenesulfinate;methane is sourced from PubChem (CID 174592359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).