ethyl-iodo-sulfanylidene-λ4-sulfane

C2H5IS2 — CID 89315007

IUPACethyl-iodo-sulfanylidene-λ4-sulfane
SMILESCCS(=S)I
InChIInChI=1S/C2H5IS2/c1-2-5(3)4/h2H2,1H3
InChIKeyGAJMLENVSACDTO-UHFFFAOYSA-N
MW220.10 g/mol
LogP1.44
Rot. Bonds1

About ethyl-iodo-sulfanylidene-λ4-sulfane

ethyl-iodo-sulfanylidene-λ4-sulfane (PubChem CID 89315007) has the molecular formula C2H5IS2 and a molecular weight of 220.10 g/mol. Its IUPAC name is ethyl-iodo-sulfanylidene-λ4-sulfane.

Molecular Properties

Compound Nameethyl-iodo-sulfanylidene-λ4-sulfane
PubChem CID89315007
Molecular FormulaC2H5IS2
Molecular Weight220.10 g/mol
Exact Mass219.89
IUPAC Nameethyl-iodo-sulfanylidene-λ4-sulfane
SMILESCCS(=S)I
InChIInChI=1S/C2H5IS2/c1-2-5(3)4/h2H2,1H3
InChIKeyGAJMLENVSACDTO-UHFFFAOYSA-N
XLogP1.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-iodo-sulfanylidene-λ4-sulfane?
The IUPAC name of ethyl-iodo-sulfanylidene-λ4-sulfane (CID 89315007) is ethyl-iodo-sulfanylidene-λ4-sulfane.
What is the SMILES notation for ethyl-iodo-sulfanylidene-λ4-sulfane?
The canonical SMILES for ethyl-iodo-sulfanylidene-λ4-sulfane is CCS(=S)I.
What is the InChIKey of ethyl-iodo-sulfanylidene-λ4-sulfane?
The InChIKey is GAJMLENVSACDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5IS2/c1-2-5(3)4/h2H2,1H3.
What are the key properties of ethyl-iodo-sulfanylidene-λ4-sulfane?
ethyl-iodo-sulfanylidene-λ4-sulfane has a molecular weight of 220.10 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-iodo-sulfanylidene-λ4-sulfane is sourced from PubChem (CID 89315007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).