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

C9H6BrClS — CID 130969844

IUPAC7-bromo-5-chloro-4-methyl-1-benzothiophene
SMILESCc1c(Cl)cc(Br)c2sccc12
InChIInChI=1S/C9H6BrClS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,1H3
InChIKeyNKFLPEGRSOEXOX-UHFFFAOYSA-N
MW261.57 g/mol
LogP4.63
Rot. Bonds

About 7-bromo-5-chloro-4-methyl-1-benzothiophene

7-bromo-5-chloro-4-methyl-1-benzothiophene (PubChem CID 130969844) has the molecular formula C9H6BrClS and a molecular weight of 261.57 g/mol. Its IUPAC name is 7-bromo-5-chloro-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-5-chloro-4-methyl-1-benzothiophene
PubChem CID130969844
Molecular FormulaC9H6BrClS
Molecular Weight261.57 g/mol
Exact Mass259.91
IUPAC Name7-bromo-5-chloro-4-methyl-1-benzothiophene
SMILESCc1c(Cl)cc(Br)c2sccc12
InChIInChI=1S/C9H6BrClS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,1H3
InChIKeyNKFLPEGRSOEXOX-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

7-bromo-4-chloro-1-benzothiophen-5-amine
CID 130961119
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
CID 130970948
4,5,7-trimethyl-1-benzothiophene
CID 59646225
4,7-dibromo-1-benzothiophene-5-thiol
CID 130926470
4,7-dibromo-1-benzothiophene-5-carbaldehyde
CID 130914405
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
7-chloro-4-(difluoromethyl)-5-methyl-1-benzothiophene
CID 131053830
2-(6-bromo-7-methyl-1-benzothiophen-4-yl)acetonitrile
CID 130956532
7-fluoro-4-methyl-1-benzothiophen-5-amine
CID 131029208
7-tert-butyl-4,5-dimethyl-1-benzothiophene
CID 134487221
5-bromo-4-chloro-6-methyl-1-benzothiophene
CID 130955248

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-4-methyl-1-benzothiophene?
The IUPAC name of 7-bromo-5-chloro-4-methyl-1-benzothiophene (CID 130969844) is 7-bromo-5-chloro-4-methyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-5-chloro-4-methyl-1-benzothiophene?
The canonical SMILES for 7-bromo-5-chloro-4-methyl-1-benzothiophene is Cc1c(Cl)cc(Br)c2sccc12.
What is the InChIKey of 7-bromo-5-chloro-4-methyl-1-benzothiophene?
The InChIKey is NKFLPEGRSOEXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS/c1-5-6-2-3-12-9(6)7(10)4-8(5)11/h2-4H,1H3.
What are the key properties of 7-bromo-5-chloro-4-methyl-1-benzothiophene?
7-bromo-5-chloro-4-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 7-bromo-5-chloro-4-methyl-1-benzothiophene is sourced from PubChem (CID 130969844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).