5-bromo-4-chloro-6-methyl-1-benzothiophene

C9H6BrClS — CID 130955248

IUPAC5-bromo-4-chloro-6-methyl-1-benzothiophene
SMILESCc1cc2sccc2c(Cl)c1Br
InChIInChI=1S/C9H6BrClS/c1-5-4-7-6(2-3-12-7)9(11)8(5)10/h2-4H,1H3
InChIKeyQEFKEXGCXMNWRQ-UHFFFAOYSA-N
MW261.57 g/mol
LogP4.63
Rot. Bonds

About 5-bromo-4-chloro-6-methyl-1-benzothiophene

5-bromo-4-chloro-6-methyl-1-benzothiophene (PubChem CID 130955248) has the molecular formula C9H6BrClS and a molecular weight of 261.57 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-4-chloro-6-methyl-1-benzothiophene
PubChem CID130955248
Molecular FormulaC9H6BrClS
Molecular Weight261.57 g/mol
Exact Mass259.91
IUPAC Name5-bromo-4-chloro-6-methyl-1-benzothiophene
SMILESCc1cc2sccc2c(Cl)c1Br
InChIInChI=1S/C9H6BrClS/c1-5-4-7-6(2-3-12-7)9(11)8(5)10/h2-4H,1H3
InChIKeyQEFKEXGCXMNWRQ-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.57
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-4-(chloromethyl)-6-methyl-1-benzothiophene
CID 131031310
4-bromo-5-chloro-1-benzothiophen-6-amine
CID 130925603
4,5,6-trichloro-1-benzothiophene
CID 91440805
4-bromo-5-methyl-1-benzothiophene
CID 119087972
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
4-bromo-6-chloro-1-benzothiophene-5-carbonitrile
CID 130885303
4-chloro-6-fluoro-5-methoxy-1-benzothiophene
CID 130985220
4-chloro-6-ethyl-1-benzothiophene-5-thiol
CID 130956759
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
6-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 130803998
4,6-dibromo-1-benzothiophen-5-ol
CID 59580169
5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-methyl-1-benzothiophene?
The IUPAC name of 5-bromo-4-chloro-6-methyl-1-benzothiophene (CID 130955248) is 5-bromo-4-chloro-6-methyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-4-chloro-6-methyl-1-benzothiophene?
The canonical SMILES for 5-bromo-4-chloro-6-methyl-1-benzothiophene is Cc1cc2sccc2c(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-methyl-1-benzothiophene?
The InChIKey is QEFKEXGCXMNWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS/c1-5-4-7-6(2-3-12-7)9(11)8(5)10/h2-4H,1H3.
What are the key properties of 5-bromo-4-chloro-6-methyl-1-benzothiophene?
5-bromo-4-chloro-6-methyl-1-benzothiophene has a molecular weight of 261.57 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-methyl-1-benzothiophene is sourced from PubChem (CID 130955248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).