2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone

C12H13ClOS — CID 105078111

IUPAC2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCSC1
InChIInChI=1S/C12H13ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10H,4-5,7-8H2
InChIKeyJWQDWBBESBRJBZ-UHFFFAOYSA-N
MW240.75 g/mol
LogP3.20
Rot. Bonds3

About 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone

2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone (PubChem CID 105078111) has the molecular formula C12H13ClOS and a molecular weight of 240.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
PubChem CID105078111
Molecular FormulaC12H13ClOS
Molecular Weight240.75 g/mol
Exact Mass240.04
IUPAC Name2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)C1CCSC1
InChIInChI=1S/C12H13ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10H,4-5,7-8H2
InChIKeyJWQDWBBESBRJBZ-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethanone
CID 105088554
2-(5-chloro-2-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 103052592
2-(2,5-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105102479
2-(2,4-dichlorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088261
2-(3-chlorophenyl)-1-(oxan-4-yl)ethanone
CID 62906043
2-(4-ethylphenyl)-1-(thiolan-3-yl)ethanone
CID 105081689
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(2,6-difluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105135754
2-(3-chlorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385760
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanone
CID 105088412
(Z)-4-(3-chlorophenyl)-3-cyclopropylbut-2-enoic acid
CID 82083749
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone (CID 105078111) is 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone is O=C(Cc1cccc(Cl)c1)C1CCSC1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone?
The InChIKey is JWQDWBBESBRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClOS/c13-11-3-1-2-9(6-11)7-12(14)10-4-5-15-8-10/h1-3,6,10H,4-5,7-8H2.
What are the key properties of 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone?
2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone has a molecular weight of 240.75 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(thiolan-3-yl)ethanone is sourced from PubChem (CID 105078111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).