4-bromo-7-chloro-3-methyl-1-benzothiophene

C9H6BrClS — CID 91881909

IUPAC4-bromo-7-chloro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H6BrClS/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyMIYJFZPCGOVSQE-UHFFFAOYSA-N
MW261.57 g/mol
LogP4.63
Rot. Bonds

About 4-bromo-7-chloro-3-methyl-1-benzothiophene

4-bromo-7-chloro-3-methyl-1-benzothiophene (PubChem CID 91881909) has the molecular formula C9H6BrClS and a molecular weight of 261.57 g/mol. Its IUPAC name is 4-bromo-7-chloro-3-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-7-chloro-3-methyl-1-benzothiophene
PubChem CID91881909
Molecular FormulaC9H6BrClS
Molecular Weight261.57 g/mol
Exact Mass259.91
IUPAC Name4-bromo-7-chloro-3-methyl-1-benzothiophene
SMILESCc1csc2c(Cl)ccc(Br)c12
InChIInChI=1S/C9H6BrClS/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyMIYJFZPCGOVSQE-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-chloro-3-methyl-1-benzothiophene?
The IUPAC name of 4-bromo-7-chloro-3-methyl-1-benzothiophene (CID 91881909) is 4-bromo-7-chloro-3-methyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-7-chloro-3-methyl-1-benzothiophene?
The canonical SMILES for 4-bromo-7-chloro-3-methyl-1-benzothiophene is Cc1csc2c(Cl)ccc(Br)c12.
What is the InChIKey of 4-bromo-7-chloro-3-methyl-1-benzothiophene?
The InChIKey is MIYJFZPCGOVSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3.
What are the key properties of 4-bromo-7-chloro-3-methyl-1-benzothiophene?
4-bromo-7-chloro-3-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 4-bromo-7-chloro-3-methyl-1-benzothiophene is sourced from PubChem (CID 91881909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).