ethenethione;formic acid

C3H4O2S — CID 175527394

IUPACethenethione;formic acid
SMILESC=C=S.O=CO
InChIInChI=1S/C2H2S.CH2O2/c1-2-3;2-1-3/h1H2;1H,(H,2,3)
InChIKeyWAINMTXCLYYKJS-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.47
Rot. Bonds

About ethenethione;formic acid

ethenethione;formic acid (PubChem CID 175527394) has the molecular formula C3H4O2S and a molecular weight of 104.13 g/mol. Its IUPAC name is ethenethione;formic acid.

Molecular Properties

Compound Nameethenethione;formic acid
PubChem CID175527394
Molecular FormulaC3H4O2S
Molecular Weight104.13 g/mol
Exact Mass103.99
IUPAC Nameethenethione;formic acid
SMILESC=C=S.O=CO
InChIInChI=1S/C2H2S.CH2O2/c1-2-3;2-1-3/h1H2;1H,(H,2,3)
InChIKeyWAINMTXCLYYKJS-UHFFFAOYSA-N
XLogP0.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenethione;formic acid?
The IUPAC name of ethenethione;formic acid (CID 175527394) is ethenethione;formic acid.
What is the SMILES notation for ethenethione;formic acid?
The canonical SMILES for ethenethione;formic acid is C=C=S.O=CO.
What is the InChIKey of ethenethione;formic acid?
The InChIKey is WAINMTXCLYYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2S.CH2O2/c1-2-3;2-1-3/h1H2;1H,(H,2,3).
What are the key properties of ethenethione;formic acid?
ethenethione;formic acid has a molecular weight of 104.13 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenethione;formic acid is sourced from PubChem (CID 175527394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).