1-(methylsulfanylmethylsulfinyl)ethane

C4H10OS2 — CID 24977145

IUPAC1-(methylsulfanylmethylsulfinyl)ethane
SMILESCCS(=O)CSC
InChIInChI=1S/C4H10OS2/c1-3-7(5)4-6-2/h3-4H2,1-2H3
InChIKeyLIVHKXDDUCDUFV-UHFFFAOYSA-N
MW138.26 g/mol
LogP1.08
Rot. Bonds3

About 1-(methylsulfanylmethylsulfinyl)ethane

1-(methylsulfanylmethylsulfinyl)ethane (PubChem CID 24977145) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is 1-(methylsulfanylmethylsulfinyl)ethane.

Molecular Properties

Compound Name1-(methylsulfanylmethylsulfinyl)ethane
PubChem CID24977145
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Name1-(methylsulfanylmethylsulfinyl)ethane
SMILESCCS(=O)CSC
InChIInChI=1S/C4H10OS2/c1-3-7(5)4-6-2/h3-4H2,1-2H3
InChIKeyLIVHKXDDUCDUFV-UHFFFAOYSA-N
XLogP1.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(methylsulfanylmethylsulfinyl)ethane 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

methylsulfanylethane;sulfur trioxide
CID 159085380
methylsulfanylmethanesulfinyl iodide
CID 89327541
ethanesulfinamide;hydrochloride
CID 155487048
1-ethylsulfinylsulfanylsulfinylethane
CID 88801276
sodium ethanesulfinic acid
CID 19960758
2-methylsulfanylethyl sulfite
CID 118684475
(2R)-1-(methoxymethoxy)-3-(methylsulfanylmethylsulfinyl)propan-2-amine
CID 134895058
1-ethylsulfinylpropan-2-one
CID 45085426
(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
CID 59288249
(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
1-ethylsulfinylhexane
CID 18965294
1-[2-(2-propylsulfanylethylsulfinyl)ethylsulfanyl]propane
CID 12636145

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfanylmethylsulfinyl)ethane?
The IUPAC name of 1-(methylsulfanylmethylsulfinyl)ethane (CID 24977145) is 1-(methylsulfanylmethylsulfinyl)ethane.
What is the SMILES notation for 1-(methylsulfanylmethylsulfinyl)ethane?
The canonical SMILES for 1-(methylsulfanylmethylsulfinyl)ethane is CCS(=O)CSC.
What is the InChIKey of 1-(methylsulfanylmethylsulfinyl)ethane?
The InChIKey is LIVHKXDDUCDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c1-3-7(5)4-6-2/h3-4H2,1-2H3.
What are the key properties of 1-(methylsulfanylmethylsulfinyl)ethane?
1-(methylsulfanylmethylsulfinyl)ethane has a molecular weight of 138.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfanylmethylsulfinyl)ethane is sourced from PubChem (CID 24977145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).