2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone

C12H12Cl2OS — CID 105088261

IUPAC2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCSC1
InChIInChI=1S/C12H12Cl2OS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9H,3-5,7H2
InChIKeyYOPXIHAQOYAAJV-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.86
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone

2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone (PubChem CID 105088261) has the molecular formula C12H12Cl2OS and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
PubChem CID105088261
Molecular FormulaC12H12Cl2OS
Molecular Weight275.20 g/mol
Exact Mass274.00
IUPAC Name2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCSC1
InChIInChI=1S/C12H12Cl2OS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9H,3-5,7H2
InChIKeyYOPXIHAQOYAAJV-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105102479
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
2-(5-chloro-2-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 103052592
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105078111
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329
2-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)ethanone
CID 113289654
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
CID 114097294
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
CID 105081689

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone (CID 105088261) is 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1CCSC1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone?
The InChIKey is YOPXIHAQOYAAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2OS/c13-10-2-1-8(11(14)6-10)5-12(15)9-3-4-16-7-9/h1-2,6,9H,3-5,7H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone has a molecular weight of 275.20 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 105088261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).