1-ethylsulfinylsulfanylsulfinylethane

C4H10O2S3 — CID 88801276

IUPAC1-ethylsulfinylsulfanylsulfinylethane
SMILESCCS(=O)SS(=O)CC
InChIInChI=1S/C4H10O2S3/c1-3-8(5)7-9(6)4-2/h3-4H2,1-2H3
InChIKeyACRPUEKYHKWDKQ-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.09
Rot. Bonds4

About 1-ethylsulfinylsulfanylsulfinylethane

1-ethylsulfinylsulfanylsulfinylethane (PubChem CID 88801276) has the molecular formula C4H10O2S3 and a molecular weight of 186.32 g/mol. Its IUPAC name is 1-ethylsulfinylsulfanylsulfinylethane.

Molecular Properties

Compound Name1-ethylsulfinylsulfanylsulfinylethane
PubChem CID88801276
Molecular FormulaC4H10O2S3
Molecular Weight186.32 g/mol
Exact Mass185.98
IUPAC Name1-ethylsulfinylsulfanylsulfinylethane
SMILESCCS(=O)SS(=O)CC
InChIInChI=1S/C4H10O2S3/c1-3-8(5)7-9(6)4-2/h3-4H2,1-2H3
InChIKeyACRPUEKYHKWDKQ-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethylsulfinylsulfanylsulfinylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl-methylidyne-oxo-λ6-sulfane
CID 145181210
methylsulfanylethane;sulfur trioxide
CID 159085380
sodium ethanesulfinic acid
CID 19960758
CID 87376343
CID 87376343
ethanesulfinamide;hydrochloride
CID 155487048
1-(methylsulfanylmethylsulfinyl)ethane
CID 24977145
ethanol;sulfur trioxide
CID 88617255
propane sulfite
CID 21270602
ethylsulfinylmethanethial
CID 87738979
ethylsulfinylformaldehyde
CID 20503941
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
ethane;2-ethylsulfinylpropane
CID 90763779

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylsulfanylsulfinylethane?
The IUPAC name of 1-ethylsulfinylsulfanylsulfinylethane (CID 88801276) is 1-ethylsulfinylsulfanylsulfinylethane.
What is the SMILES notation for 1-ethylsulfinylsulfanylsulfinylethane?
The canonical SMILES for 1-ethylsulfinylsulfanylsulfinylethane is CCS(=O)SS(=O)CC.
What is the InChIKey of 1-ethylsulfinylsulfanylsulfinylethane?
The InChIKey is ACRPUEKYHKWDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S3/c1-3-8(5)7-9(6)4-2/h3-4H2,1-2H3.
What are the key properties of 1-ethylsulfinylsulfanylsulfinylethane?
1-ethylsulfinylsulfanylsulfinylethane has a molecular weight of 186.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylsulfanylsulfinylethane is sourced from PubChem (CID 88801276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).