2,3-dibromo-7-chloro-1-benzothiophene

C8H3Br2ClS — CID 118221624

IUPAC2,3-dibromo-7-chloro-1-benzothiophene
SMILESClc1cccc2c(Br)c(Br)sc12
InChIInChI=1S/C8H3Br2ClS/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3H
InChIKeyXBEHOJMSNCMNGM-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.08
Rot. Bonds

About 2,3-dibromo-7-chloro-1-benzothiophene

2,3-dibromo-7-chloro-1-benzothiophene (PubChem CID 118221624) has the molecular formula C8H3Br2ClS and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,3-dibromo-7-chloro-1-benzothiophene.

Molecular Properties

Compound Name2,3-dibromo-7-chloro-1-benzothiophene
PubChem CID118221624
Molecular FormulaC8H3Br2ClS
Molecular Weight326.44 g/mol
Exact Mass323.80
IUPAC Name2,3-dibromo-7-chloro-1-benzothiophene
SMILESClc1cccc2c(Br)c(Br)sc12
InChIInChI=1S/C8H3Br2ClS/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3H
InChIKeyXBEHOJMSNCMNGM-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-6-chlorodibenzothiophene
CID 54757064
3-bromo-7-chloro-2-ethoxy-1-benzothiophene
CID 130786023
2,7-dibromo-3-chloro-1-benzothiophene
CID 130883075
2-(bromomethyl)-3,7-dichloro-1-benzothiophene
CID 131169650
4-bromo-6-chloro-2H-[1]benzothiolo[3,2-c]pyridin-1-one
CID 59198445
1,3,6-trichlorodibenzothiophene
CID 527120
4-(2-bromo-3-chlorophenyl)dibenzothiophene
CID 129023068
7-chloro-3-(difluoromethyl)-1-benzothiophen-2-ol
CID 131146373
2,7-dichloro-1-benzothiophene-3-carboxylic acid
CID 130785966
7-chloro-2-fluoro-1-benzothiophene-3-carbaldehyde
CID 130803900
2-(aminomethyl)-7-chloro-1-benzothiophen-3-ol
CID 112546241
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-7-chloro-1-benzothiophene?
The IUPAC name of 2,3-dibromo-7-chloro-1-benzothiophene (CID 118221624) is 2,3-dibromo-7-chloro-1-benzothiophene.
What is the SMILES notation for 2,3-dibromo-7-chloro-1-benzothiophene?
The canonical SMILES for 2,3-dibromo-7-chloro-1-benzothiophene is Clc1cccc2c(Br)c(Br)sc12.
What is the InChIKey of 2,3-dibromo-7-chloro-1-benzothiophene?
The InChIKey is XBEHOJMSNCMNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClS/c9-6-4-2-1-3-5(11)7(4)12-8(6)10/h1-3H.
What are the key properties of 2,3-dibromo-7-chloro-1-benzothiophene?
2,3-dibromo-7-chloro-1-benzothiophene has a molecular weight of 326.44 g/mol, XLogP of 5.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-7-chloro-1-benzothiophene is sourced from PubChem (CID 118221624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).