4,7-dibromo-2-chloro-1-benzothiophene

C8H3Br2ClS — CID 131145781

IUPAC4,7-dibromo-2-chloro-1-benzothiophene
SMILESClc1cc2c(Br)ccc(Br)c2s1
InChIInChI=1S/C8H3Br2ClS/c9-5-1-2-6(10)8-4(5)3-7(11)12-8/h1-3H
InChIKeyWASQMVUCKSXXNH-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.08
Rot. Bonds

About 4,7-dibromo-2-chloro-1-benzothiophene

4,7-dibromo-2-chloro-1-benzothiophene (PubChem CID 131145781) has the molecular formula C8H3Br2ClS and a molecular weight of 326.44 g/mol. Its IUPAC name is 4,7-dibromo-2-chloro-1-benzothiophene.

Molecular Properties

Compound Name4,7-dibromo-2-chloro-1-benzothiophene
PubChem CID131145781
Molecular FormulaC8H3Br2ClS
Molecular Weight326.44 g/mol
Exact Mass323.80
IUPAC Name4,7-dibromo-2-chloro-1-benzothiophene
SMILESClc1cc2c(Br)ccc(Br)c2s1
InChIInChI=1S/C8H3Br2ClS/c9-5-1-2-6(10)8-4(5)3-7(11)12-8/h1-3H
InChIKeyWASQMVUCKSXXNH-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

2-(7-bromo-4-chloro-1-benzothiophen-2-yl)acetonitrile
CID 131119298
2-(5-bromo-2-chloro-1-benzothiophen-4-yl)acetonitrile
CID 130839609
7-bromo-4-chloro-1-benzothiophene-2-carboxylic acid
CID 67185912
2,7-dibromo-3-chloro-1-benzothiophene
CID 130883075
4-bromo-6-chlorodibenzothiophene
CID 54757064
7-bromo-2-(chloromethyl)-4-ethyl-1-benzothiophene
CID 130839660
4-bromo-7-chloro-1-phenyldibenzothiophene
CID 155763709
4,14-dichloro-8,8,9,9,10,10-hexafluoro-3,15-dithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,11,13-pentaene
CID 101381002
6-bromo-2-(chloromethyl)-7-methoxy-1-benzothiophene
CID 131030911
6-bromo-2-fluoro-7-methoxy-1-benzothiophene
CID 131119207
4-bromo-7-fluoro-2-methylsulfanyl-1-benzothiophene
CID 131091429
4-bromo-7-(bromomethyl)-1-benzothiophene-2-thiol
CID 131030773

Frequently Asked Questions

What is the IUPAC name of 4,7-dibromo-2-chloro-1-benzothiophene?
The IUPAC name of 4,7-dibromo-2-chloro-1-benzothiophene (CID 131145781) is 4,7-dibromo-2-chloro-1-benzothiophene.
What is the SMILES notation for 4,7-dibromo-2-chloro-1-benzothiophene?
The canonical SMILES for 4,7-dibromo-2-chloro-1-benzothiophene is Clc1cc2c(Br)ccc(Br)c2s1.
What is the InChIKey of 4,7-dibromo-2-chloro-1-benzothiophene?
The InChIKey is WASQMVUCKSXXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Br2ClS/c9-5-1-2-6(10)8-4(5)3-7(11)12-8/h1-3H.
What are the key properties of 4,7-dibromo-2-chloro-1-benzothiophene?
4,7-dibromo-2-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 4,7-dibromo-2-chloro-1-benzothiophene is sourced from PubChem (CID 131145781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).