1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one

C10H20O3S2 — CID 161323393

IUPAC1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
SMILESCCS(=O)CC(C)=O.CCSCC(C)=O
InChIInChI=1S/C5H10O2S.C5H10OS/c1-3-8(7)4-5(2)6;1-3-7-4-5(2)6/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyVKLHKNWISGLGJO-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.67
Rot. Bonds6

About 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one

1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one (PubChem CID 161323393) has the molecular formula C10H20O3S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one.

Molecular Properties

Compound Name1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
PubChem CID161323393
Molecular FormulaC10H20O3S2
Molecular Weight252.40 g/mol
Exact Mass252.09
IUPAC Name1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one
SMILESCCS(=O)CC(C)=O.CCSCC(C)=O
InChIInChI=1S/C5H10O2S.C5H10OS/c1-3-8(7)4-5(2)6;1-3-7-4-5(2)6/h3-4H2,1-2H3;3-4H2,1-2H3
InChIKeyVKLHKNWISGLGJO-UHFFFAOYSA-N
XLogP1.67
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-ethylsulfanylpropan-2-one;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-ethylsulfinylpropan-2-one
CID 45085426
1-ethylsulfinyl-N-methylpropan-2-imine
CID 171553270
1-butylsulfinylpropan-2-one
CID 64640941
sodium ethanesulfinic acid
CID 19960758
5-ethylsulfinylpentan-2-one
CID 64640070
2-ethylsulfinyl-1-thiophen-2-ylethanone
CID 64639868
(E)-1-ethylsulfanyl-4-ethylsulfinylbut-2-ene
CID 59288249
1-(2-fluoroethylsulfanyl)propan-2-one
CID 84648281
4-ethylsulfanyl-2-oxobutanoic acid
CID 71359601
3-(2-oxopropylsulfanyl)propanoic acid
CID 12024482
butan-2-one;sulfurous acid
CID 19882018
1-(3-methylbut-2-en-2-ylsulfanyl)propan-2-one
CID 12859457

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one?
The IUPAC name of 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one (CID 161323393) is 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one.
What is the SMILES notation for 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one?
The canonical SMILES for 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one is CCS(=O)CC(C)=O.CCSCC(C)=O.
What is the InChIKey of 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one?
The InChIKey is VKLHKNWISGLGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2S.C5H10OS/c1-3-8(7)4-5(2)6;1-3-7-4-5(2)6/h3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one?
1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one has a molecular weight of 252.40 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanylpropan-2-one;1-ethylsulfinylpropan-2-one is sourced from PubChem (CID 161323393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).