ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

C2H4O3S2 — CID 87786187

IUPACethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESC=COS(=O)(O)=S
InChIInChI=1S/C2H4O3S2/c1-2-5-7(3,4)6/h2H,1H2,(H,3,4,6)
InChIKeyCASADHSKVGJZDG-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.28
Rot. Bonds2

About ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 87786187) has the molecular formula C2H4O3S2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID87786187
Molecular FormulaC2H4O3S2
Molecular Weight140.18 g/mol
Exact Mass139.96
IUPAC Nameethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESC=COS(=O)(O)=S
InChIInChI=1S/C2H4O3S2/c1-2-5-7(3,4)6/h2H,1H2,(H,3,4,6)
InChIKeyCASADHSKVGJZDG-UHFFFAOYSA-N
XLogP0.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethane;ethenyl hydrogen sulfate;sulfuric acid
CID 175600765
ethenyl acetate;sulfurothioic O-acid
CID 174959909
platinum;sulfurothioic O-acid
CID 173374995
ethenyl methanesulfonate;prop-2-ene-1-sulfonic acid
CID 175807868
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 20526997
1,3,2-dioxathiolane 2,2-dioxide;ethenyl hydrogen sulfate
CID 175600766
CID 87964980
CID 87964980
ethenoxyethene;fluoromethane;sulfurofluoridic acid
CID 20552533
bis(ethenyl) but-2-ene-1,4-disulfonate
CID 173425356
sulfurothioic O-acid;uranium
CID 174777711
gallane;sulfurothioic O-acid
CID 175433245
sulfurothioic O-acid;titanium
CID 174806417

Frequently Asked Questions

What is the IUPAC name of ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 87786187) is ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is C=COS(=O)(O)=S.
What is the InChIKey of ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is CASADHSKVGJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3S2/c1-2-5-7(3,4)6/h2H,1H2,(H,3,4,6).
What are the key properties of ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 140.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 87786187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).