1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone

C8H9ClO2S2 — CID 64640067

IUPAC1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
SMILESCCS(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClO2S2/c1-2-13(11)5-6(10)7-3-4-8(9)12-7/h3-4H,2,5H2,1H3
InChIKeyZPYQVSVIYNMMBG-UHFFFAOYSA-N
MW236.74 g/mol
LogP2.35
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone

1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone (PubChem CID 64640067) has the molecular formula C8H9ClO2S2 and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
PubChem CID64640067
Molecular FormulaC8H9ClO2S2
Molecular Weight236.74 g/mol
Exact Mass235.97
IUPAC Name1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone
SMILESCCS(=O)CC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H9ClO2S2/c1-2-13(11)5-6(10)7-3-4-8(9)12-7/h3-4H,2,5H2,1H3
InChIKeyZPYQVSVIYNMMBG-UHFFFAOYSA-N
XLogP2.35
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone 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-(5-chlorothiophen-2-yl)-2-(3-methoxypropylsulfinyl)ethanone
CID 64636451
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
1-(5-chlorothiophen-2-yl)-3-(diethylamino)propan-1-one
CID 79017302
4-amino-1-(5-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 116571258
1-(5-chlorothiophen-2-yl)-4-(4-methylphenyl)butane-1,4-dione;ethane
CID 144689529
1-(5-chlorothiophen-2-yl)-4-methoxy-4-methylpentan-1-one
CID 103024754
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
CID 4962746
1-(5-chlorothiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974177
1-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfinylethanone
CID 115478142
1-(5-chlorothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethanone
CID 115784791

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone (CID 64640067) is 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone is CCS(=O)CC(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone?
The InChIKey is ZPYQVSVIYNMMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2S2/c1-2-13(11)5-6(10)7-3-4-8(9)12-7/h3-4H,2,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone?
1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone has a molecular weight of 236.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-ethylsulfinylethanone is sourced from PubChem (CID 64640067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).