5-bromo-3,6-dichloro-1-benzothiophene

C8H3BrCl2S — CID 131053565

IUPAC5-bromo-3,6-dichloro-1-benzothiophene
SMILESClc1cc2scc(Cl)c2cc1Br
InChIInChI=1S/C8H3BrCl2S/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3H
InChIKeyALMOAXCGEMJOGD-UHFFFAOYSA-N
MW281.99 g/mol
LogP4.97
Rot. Bonds

About 5-bromo-3,6-dichloro-1-benzothiophene

5-bromo-3,6-dichloro-1-benzothiophene (PubChem CID 131053565) has the molecular formula C8H3BrCl2S and a molecular weight of 281.99 g/mol. Its IUPAC name is 5-bromo-3,6-dichloro-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-3,6-dichloro-1-benzothiophene
PubChem CID131053565
Molecular FormulaC8H3BrCl2S
Molecular Weight281.99 g/mol
Exact Mass279.85
IUPAC Name5-bromo-3,6-dichloro-1-benzothiophene
SMILESClc1cc2scc(Cl)c2cc1Br
InChIInChI=1S/C8H3BrCl2S/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3H
InChIKeyALMOAXCGEMJOGD-UHFFFAOYSA-N
XLogP4.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.99
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-6-chloro-5-(chloromethyl)-1-benzothiophene
CID 131138182
5-(bromomethyl)-3-chloro-6-ethyl-1-benzothiophene
CID 130840069
5-bromo-6-chloro-1,3-benzothiazole
CID 162381468
4-bromo-3-chloro-6-methyl-1-benzothiophene
CID 91756717
6-chloro-3-methyl-1-benzothiophen-5-ol
CID 13085745
2,7-dibromo-3,8-dichlorothianthrene
CID 19906812
3-chloro-6-ethyl-1-benzothiophene
CID 91757441
3-chloro-5-(chloromethyl)-1-benzothiophene-6-carbonitrile
CID 130956888
3-chlorothieno[2,3-d]pyridazine
CID 22892637
5-bromo-6-(chloromethyl)-3-methylsulfanyl-1-benzothiophene
CID 130884248
5-bromo-3-fluoro-1-benzothiophen-6-ol
CID 130961255
4-bromo-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130971687

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-dichloro-1-benzothiophene?
The IUPAC name of 5-bromo-3,6-dichloro-1-benzothiophene (CID 131053565) is 5-bromo-3,6-dichloro-1-benzothiophene.
What is the SMILES notation for 5-bromo-3,6-dichloro-1-benzothiophene?
The canonical SMILES for 5-bromo-3,6-dichloro-1-benzothiophene is Clc1cc2scc(Cl)c2cc1Br.
What is the InChIKey of 5-bromo-3,6-dichloro-1-benzothiophene?
The InChIKey is ALMOAXCGEMJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2S/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-3H.
What are the key properties of 5-bromo-3,6-dichloro-1-benzothiophene?
5-bromo-3,6-dichloro-1-benzothiophene has a molecular weight of 281.99 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-dichloro-1-benzothiophene is sourced from PubChem (CID 131053565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).