1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone

C14H9ClOS2 — CID 114967597

IUPAC1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1cc2ccccc2s1
InChIInChI=1S/C14H9ClOS2/c15-14-6-5-10(17-14)8-11(16)13-7-9-3-1-2-4-12(9)18-13/h1-7H,8H2
InChIKeyFKYAULNNWAVDAN-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.04
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone

1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone (PubChem CID 114967597) has the molecular formula C14H9ClOS2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
PubChem CID114967597
Molecular FormulaC14H9ClOS2
Molecular Weight292.81 g/mol
Exact Mass291.98
IUPAC Name1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Cl)s1)c1cc2ccccc2s1
InChIInChI=1S/C14H9ClOS2/c15-14-6-5-10(17-14)8-11(16)13-7-9-3-1-2-4-12(9)18-13/h1-7H,8H2
InChIKeyFKYAULNNWAVDAN-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Acetylbenzothiophene
CID 89805
2-(Benzo(b)thien-2-oyl)benzo(b)thiophene
CID 5330534
2-Acetyl-3-methylbenzo[b]thiophene
CID 519603
2-(5-Methyl-thiophen-2-ylmethylene)-benzo[b]thiophen-3-one
CID 777053
Benzo(b)thiophene-3-carbonyl chloride
CID 2776338
Benzo[b]thiophene-2-carbonyl Chloride
CID 142384
3-Chlorobenzo(b)thiophene-2-carbonyl chloride
CID 519898
1-(5-(4-Chlorophenyl)-2-thienyl)ethanone
CID 2763587
1-(5-Chloro-3-methyl-benzo[b]thiophen-2-yl)-ethanone
CID 610720
(2E)-1-(5-Chlorothiophen-2-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 19556945
(5R)-3-(1-benzothiophen-2-yl)-5-(4-chlorophenyl)cyclohex-2-en-1-one
CID 44143806
1-Benzo[b]thiophen-3-yl-3-(4-chlorophenyl)prop-2-en-1-one
CID 5712227

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone (CID 114967597) is 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone is O=C(Cc1ccc(Cl)s1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone?
The InChIKey is FKYAULNNWAVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS2/c15-14-6-5-10(17-14)8-11(16)13-7-9-3-1-2-4-12(9)18-13/h1-7H,8H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone?
1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone has a molecular weight of 292.81 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(5-chlorothiophen-2-yl)ethanone is sourced from PubChem (CID 114967597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).