1-ethylsulfinylethane

C4H10OS — CID 6263

IUPAC1-ethylsulfinylethane
SMILESCCS(=O)CC
InChIInChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyCCAFPWNGIUBUSD-UHFFFAOYSA-N
MW106.19 g/mol
LogP0.77
Rot. Bonds2

About 1-ethylsulfinylethane

1-ethylsulfinylethane (PubChem CID 6263) has the molecular formula C4H10OS and a molecular weight of 106.19 g/mol. Its IUPAC name is 1-ethylsulfinylethane.

Molecular Properties

Compound Name1-ethylsulfinylethane
PubChem CID6263
Molecular FormulaC4H10OS
Molecular Weight106.19 g/mol
Exact Mass106.05
IUPAC Name1-ethylsulfinylethane
SMILESCCS(=O)CC
InChIInChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3
InChIKeyCCAFPWNGIUBUSD-UHFFFAOYSA-N
XLogP0.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.19
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylethane?
The IUPAC name of 1-ethylsulfinylethane (CID 6263) is 1-ethylsulfinylethane.
What is the SMILES notation for 1-ethylsulfinylethane?
The canonical SMILES for 1-ethylsulfinylethane is CCS(=O)CC.
What is the InChIKey of 1-ethylsulfinylethane?
The InChIKey is CCAFPWNGIUBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS/c1-3-6(5)4-2/h3-4H2,1-2H3.
What are the key properties of 1-ethylsulfinylethane?
1-ethylsulfinylethane has a molecular weight of 106.19 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylethane is sourced from PubChem (CID 6263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).