1-ethylsulfinylpropan-2-one

C5H10O2S — CID 45085426

IUPAC1-ethylsulfinylpropan-2-one
SMILESCCS(=O)CC(C)=O
InChIInChI=1S/C5H10O2S/c1-3-8(7)4-5(2)6/h3-4H2,1-2H3
InChIKeyNOFQBLISXNYWSM-UHFFFAOYSA-N
MW134.20 g/mol
LogP0.34
Rot. Bonds3

About 1-ethylsulfinylpropan-2-one

1-ethylsulfinylpropan-2-one (PubChem CID 45085426) has the molecular formula C5H10O2S and a molecular weight of 134.20 g/mol. Its IUPAC name is 1-ethylsulfinylpropan-2-one.

Molecular Properties

Compound Name1-ethylsulfinylpropan-2-one
PubChem CID45085426
Molecular FormulaC5H10O2S
Molecular Weight134.20 g/mol
Exact Mass134.04
IUPAC Name1-ethylsulfinylpropan-2-one
SMILESCCS(=O)CC(C)=O
InChIInChI=1S/C5H10O2S/c1-3-8(7)4-5(2)6/h3-4H2,1-2H3
InChIKeyNOFQBLISXNYWSM-UHFFFAOYSA-N
XLogP0.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethylsulfinylpropan-2-one 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

1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
CID 161323393
1-butylsulfinylpropan-2-one
CID 64640941
1-ethylsulfinyl-N-methylpropan-2-imine
CID 171553270
5-ethylsulfinylpentan-2-one
CID 64640070
butan-2-one;sulfurous acid
CID 19882018
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
N-cyano-2-ethylsulfinyl-N-methylacetamide
CID 87546655
sodium ethanesulfinic acid
CID 19960758
1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
CID 64640067
butan-2-one;4-methylpent-3-en-2-one
CID 87594966
bis(butan-2-one);methane
CID 160665705
butan-2-one;ethane
CID 158905935

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinylpropan-2-one?
The IUPAC name of 1-ethylsulfinylpropan-2-one (CID 45085426) is 1-ethylsulfinylpropan-2-one.
What is the SMILES notation for 1-ethylsulfinylpropan-2-one?
The canonical SMILES for 1-ethylsulfinylpropan-2-one is CCS(=O)CC(C)=O.
What is the InChIKey of 1-ethylsulfinylpropan-2-one?
The InChIKey is NOFQBLISXNYWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S/c1-3-8(7)4-5(2)6/h3-4H2,1-2H3.
What are the key properties of 1-ethylsulfinylpropan-2-one?
1-ethylsulfinylpropan-2-one has a molecular weight of 134.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinylpropan-2-one is sourced from PubChem (CID 45085426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).