2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone

C12H8Cl2O2S2 — CID 64635343

IUPAC2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2O2S2/c13-11-6-9(12(14)17-11)10(15)7-18(16)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyJJTWKAHWRSONFH-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.05
Rot. Bonds4

About 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone

2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone (PubChem CID 64635343) has the molecular formula C12H8Cl2O2S2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
PubChem CID64635343
Molecular FormulaC12H8Cl2O2S2
Molecular Weight319.23 g/mol
Exact Mass317.93
IUPAC Name2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESO=C(CS(=O)c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H8Cl2O2S2/c13-11-6-9(12(14)17-11)10(15)7-18(16)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyJJTWKAHWRSONFH-UHFFFAOYSA-N
XLogP4.05
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The IUPAC name of 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone (CID 64635343) is 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone.
What is the SMILES notation for 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The canonical SMILES for 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone is O=C(CS(=O)c1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone?
The InChIKey is JJTWKAHWRSONFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S2/c13-11-6-9(12(14)17-11)10(15)7-18(16)8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone?
2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone has a molecular weight of 319.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfinyl)-1-(2,5-dichlorothiophen-3-yl)ethanone is sourced from PubChem (CID 64635343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).