ethoxy-iodo-sulfanylidene-λ4-sulfane

C2H5IOS2 — CID 89321737

IUPACethoxy-iodo-sulfanylidene-λ4-sulfane
SMILESCCOS(=S)I
InChIInChI=1S/C2H5IOS2/c1-2-4-6(3)5/h2H2,1H3
InChIKeyZFPXADFHTDVCEZ-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.37
Rot. Bonds2

About ethoxy-iodo-sulfanylidene-λ4-sulfane

ethoxy-iodo-sulfanylidene-λ4-sulfane (PubChem CID 89321737) has the molecular formula C2H5IOS2 and a molecular weight of 236.10 g/mol. Its IUPAC name is ethoxy-iodo-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Nameethoxy-iodo-sulfanylidene-λ4-sulfane
PubChem CID89321737
Molecular FormulaC2H5IOS2
Molecular Weight236.10 g/mol
Exact Mass235.88
IUPAC Nameethoxy-iodo-sulfanylidene-λ4-sulfane
SMILESCCOS(=S)I
InChIInChI=1S/C2H5IOS2/c1-2-4-6(3)5/h2H2,1H3
InChIKeyZFPXADFHTDVCEZ-UHFFFAOYSA-N
XLogP1.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-iodo-sulfanylidene-λ4-sulfane?
The IUPAC name of ethoxy-iodo-sulfanylidene-λ4-sulfane (CID 89321737) is ethoxy-iodo-sulfanylidene-λ4-sulfane.
What is the SMILES notation for ethoxy-iodo-sulfanylidene-λ4-sulfane?
The canonical SMILES for ethoxy-iodo-sulfanylidene-λ4-sulfane is CCOS(=S)I.
What is the InChIKey of ethoxy-iodo-sulfanylidene-λ4-sulfane?
The InChIKey is ZFPXADFHTDVCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5IOS2/c1-2-4-6(3)5/h2H2,1H3.
What are the key properties of ethoxy-iodo-sulfanylidene-λ4-sulfane?
ethoxy-iodo-sulfanylidene-λ4-sulfane has a molecular weight of 236.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-iodo-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 89321737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).