1-methylsulfinylsulfanylethane

C3H8OS2 — CID 23386799

IUPAC1-methylsulfinylsulfanylethane
SMILESCCSS(C)=O
InChIInChI=1S/C3H8OS2/c1-3-5-6(2)4/h3H2,1-2H3
InChIKeyCIOBSCKTPLIYDP-UHFFFAOYSA-N
MW124.23 g/mol
LogP1.03
Rot. Bonds2

About 1-methylsulfinylsulfanylethane

1-methylsulfinylsulfanylethane (PubChem CID 23386799) has the molecular formula C3H8OS2 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-methylsulfinylsulfanylethane.

Molecular Properties

Compound Name1-methylsulfinylsulfanylethane
PubChem CID23386799
Molecular FormulaC3H8OS2
Molecular Weight124.23 g/mol
Exact Mass124.00
IUPAC Name1-methylsulfinylsulfanylethane
SMILESCCSS(C)=O
InChIInChI=1S/C3H8OS2/c1-3-5-6(2)4/h3H2,1-2H3
InChIKeyCIOBSCKTPLIYDP-UHFFFAOYSA-N
XLogP1.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinylsulfanylethane?
The IUPAC name of 1-methylsulfinylsulfanylethane (CID 23386799) is 1-methylsulfinylsulfanylethane.
What is the SMILES notation for 1-methylsulfinylsulfanylethane?
The canonical SMILES for 1-methylsulfinylsulfanylethane is CCSS(C)=O.
What is the InChIKey of 1-methylsulfinylsulfanylethane?
The InChIKey is CIOBSCKTPLIYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8OS2/c1-3-5-6(2)4/h3H2,1-2H3.
What are the key properties of 1-methylsulfinylsulfanylethane?
1-methylsulfinylsulfanylethane has a molecular weight of 124.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylsulfanylethane is sourced from PubChem (CID 23386799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).