1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone

C10H6BrClOS — CID 131145979

IUPAC1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C10H6BrClOS/c1-5(13)10-9(12)7-3-2-6(11)4-8(7)14-10/h2-4H,1H3
InChIKeyYUGFJYXKPUTESP-UHFFFAOYSA-N
MW289.58 g/mol
LogP4.52
Rot. Bonds1

About 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone

1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone (PubChem CID 131145979) has the molecular formula C10H6BrClOS and a molecular weight of 289.58 g/mol. Its IUPAC name is 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
PubChem CID131145979
Molecular FormulaC10H6BrClOS
Molecular Weight289.58 g/mol
Exact Mass287.90
IUPAC Name1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone
SMILESCC(=O)c1sc2cc(Br)ccc2c1Cl
InChIInChI=1S/C10H6BrClOS/c1-5(13)10-9(12)7-3-2-6(11)4-8(7)14-10/h2-4H,1H3
InChIKeyYUGFJYXKPUTESP-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
6-bromo-N-[1-(5-bromothiophen-2-yl)ethylideneamino]-3-chloro-1-benzothiophene-2-carboxamide
CID 4987910
6-bromo-3-chloro-N-pyrimidin-2-yl-1-benzothiophene-2-carboxamide
CID 2970899
6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 988675
6-bromo-3-chloro-2-(1-chloroethyl)-1-benzothiophene
CID 70540697
6-bromo-3-chloro-N-[(Z)-1-thiophen-2-ylpropylideneamino]-1-benzothiophene-2-carboxamide
CID 6029011
6-bromo-3-chloro-N-(1-thiophen-2-ylbutylideneamino)-1-benzothiophene-2-carboxamide
CID 5213778
2-morpholin-4-ylethyl 6-bromo-3-chloro-1-benzothiophene-2-carboxylate
CID 19798623
6-bromo-3-phenyl-1-benzothiophene-2-carbonyl chloride
CID 89380803
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
6-bromo-N-[4-[[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-3-chloro-1-benzothiophene-2-carboxamide
CID 137062401

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone (CID 131145979) is 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone is CC(=O)c1sc2cc(Br)ccc2c1Cl.
What is the InChIKey of 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone?
The InChIKey is YUGFJYXKPUTESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClOS/c1-5(13)10-9(12)7-3-2-6(11)4-8(7)14-10/h2-4H,1H3.
What are the key properties of 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone?
1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone has a molecular weight of 289.58 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-chloro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 131145979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).