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

C12H12Cl2OS — CID 80621705

IUPAC2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCCS1
InChIInChI=1S/C12H12Cl2OS/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,12H,1-2,5-6H2
InChIKeyVCKZESLVRMWSGP-UHFFFAOYSA-N
MW275.20 g/mol
LogP4.00
Rot. Bonds3

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

2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone (PubChem CID 80621705) has the molecular formula C12H12Cl2OS and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
PubChem CID80621705
Molecular FormulaC12H12Cl2OS
Molecular Weight275.20 g/mol
Exact Mass274.00
IUPAC Name2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1Cl)C1CCCS1
InChIInChI=1S/C12H12Cl2OS/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,12H,1-2,5-6H2
InChIKeyVCKZESLVRMWSGP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
CID 124512685
2-(3-chloro-4-pyridinyl)-1-(thiolan-2-yl)ethanone
CID 80622646
(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
CID 14667238
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
1-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)ethanone
CID 116557220
2-(3,4-difluorophenyl)-1-(thian-2-yl)ethanone
CID 82920407
1-(azepan-2-yl)-2-(2,4-dichlorophenyl)ethanone
CID 116582482
2-(2,4-dichlorophenyl)-1-(3-tricyclo[3.2.1.02,4]octanyl)ethanone
CID 114097294
2-(2,4-dichlorophenyl)-1-thiomorpholin-3-ylethanone
CID 116609447
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
2-(2,4-dichlorophenyl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105088329
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone (CID 80621705) is 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone is O=C(Cc1ccc(Cl)cc1Cl)C1CCCS1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone?
The InChIKey is VCKZESLVRMWSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2OS/c13-9-4-3-8(10(14)7-9)6-11(15)12-2-1-5-16-12/h3-4,7,12H,1-2,5-6H2.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone?
2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone has a molecular weight of 275.20 g/mol, XLogP of 4.00, 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-2-yl)ethanone is sourced from PubChem (CID 80621705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).