ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

C2H6O3S2 — CID 20526997

IUPACethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCOS(=O)(O)=S
InChIInChI=1S/C2H6O3S2/c1-2-5-7(3,4)6/h2H2,1H3,(H,3,4,6)
InChIKeyWUBUHPZTDFJNDA-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.16
Rot. Bonds2

About ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane

ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (PubChem CID 20526997) has the molecular formula C2H6O3S2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Nameethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
PubChem CID20526997
Molecular FormulaC2H6O3S2
Molecular Weight142.20 g/mol
Exact Mass141.98
IUPAC Nameethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane
SMILESCCOS(=O)(O)=S
InChIInChI=1S/C2H6O3S2/c1-2-5-7(3,4)6/h2H2,1H3,(H,3,4,6)
InChIKeyWUBUHPZTDFJNDA-UHFFFAOYSA-N
XLogP0.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane (CID 20526997) is ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is CCOS(=O)(O)=S.
What is the InChIKey of ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is WUBUHPZTDFJNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S2/c1-2-5-7(3,4)6/h2H2,1H3,(H,3,4,6).
What are the key properties of ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane?
ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 142.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 20526997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).