2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone

C12H13ClOS — CID 124512685

IUPAC2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)[C@@H]1CCCS1
InChIInChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2/t12-/m0/s1
InChIKeyPKVSVVJDAYYOIY-LBPRGKRZSA-N
MW240.75 g/mol
LogP3.35
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone

2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone (PubChem CID 124512685) has the molecular formula C12H13ClOS and a molecular weight of 240.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
PubChem CID124512685
Molecular FormulaC12H13ClOS
Molecular Weight240.75 g/mol
Exact Mass240.04
IUPAC Name2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)[C@@H]1CCCS1
InChIInChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2/t12-/m0/s1
InChIKeyPKVSVVJDAYYOIY-LBPRGKRZSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.75
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-1-(thiolan-2-yl)ethanone
CID 80621705
2-(3-chloro-4-pyridinyl)-1-(thiolan-2-yl)ethanone
CID 80622646
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone
CID 80621447
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
2-(2-chlorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanone
CID 104622227
2-(2,3-dihydro-1H-inden-5-yl)-1-(thiolan-2-yl)ethanone
CID 80622050
2-(2-bromo-5-methoxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80621821
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(2,6-dichlorophenyl)-1-(1,4-dithian-2-yl)ethanone
CID 79972598

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone (CID 124512685) is 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone is O=C(Cc1ccccc1Cl)[C@@H]1CCCS1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone?
The InChIKey is PKVSVVJDAYYOIY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13ClOS/c13-10-5-2-1-4-9(10)8-11(14)12-6-3-7-15-12/h1-2,4-5,12H,3,6-8H2/t12-/m0/s1.
What are the key properties of 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone?
2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone has a molecular weight of 240.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(2S)-thiolan-2-yl]ethanone is sourced from PubChem (CID 124512685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).