6-bromo-5-chloro-2-methyl-1-benzothiophene

C9H6BrClS — CID 130970547

IUPAC6-bromo-5-chloro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(Cl)c(Br)cc2s1
InChIInChI=1S/C9H6BrClS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3
InChIKeyBYDNTZNWDUPZRL-UHFFFAOYSA-N
MW261.57 g/mol
LogP4.63
Rot. Bonds

About 6-bromo-5-chloro-2-methyl-1-benzothiophene

6-bromo-5-chloro-2-methyl-1-benzothiophene (PubChem CID 130970547) has the molecular formula C9H6BrClS and a molecular weight of 261.57 g/mol. Its IUPAC name is 6-bromo-5-chloro-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-5-chloro-2-methyl-1-benzothiophene
PubChem CID130970547
Molecular FormulaC9H6BrClS
Molecular Weight261.57 g/mol
Exact Mass259.91
IUPAC Name6-bromo-5-chloro-2-methyl-1-benzothiophene
SMILESCc1cc2cc(Cl)c(Br)cc2s1
InChIInChI=1S/C9H6BrClS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3
InChIKeyBYDNTZNWDUPZRL-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

Analyze 6-bromo-5-chloro-2-methyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-2-methyl-1-benzothiophene?
The IUPAC name of 6-bromo-5-chloro-2-methyl-1-benzothiophene (CID 130970547) is 6-bromo-5-chloro-2-methyl-1-benzothiophene.
What is the SMILES notation for 6-bromo-5-chloro-2-methyl-1-benzothiophene?
The canonical SMILES for 6-bromo-5-chloro-2-methyl-1-benzothiophene is Cc1cc2cc(Cl)c(Br)cc2s1.
What is the InChIKey of 6-bromo-5-chloro-2-methyl-1-benzothiophene?
The InChIKey is BYDNTZNWDUPZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS/c1-5-2-6-3-8(11)7(10)4-9(6)12-5/h2-4H,1H3.
What are the key properties of 6-bromo-5-chloro-2-methyl-1-benzothiophene?
6-bromo-5-chloro-2-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 6-bromo-5-chloro-2-methyl-1-benzothiophene is sourced from PubChem (CID 130970547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).