4-bromo-3-chloro-6-methyl-1-benzothiophene

C9H6BrClS — CID 91756717

IUPAC4-bromo-3-chloro-6-methyl-1-benzothiophene
SMILESCc1cc(Br)c2c(Cl)csc2c1
InChIInChI=1S/C9H6BrClS/c1-5-2-6(10)9-7(11)4-12-8(9)3-5/h2-4H,1H3
InChIKeyGJNIYMJAXPJQNZ-UHFFFAOYSA-N
MW261.57 g/mol
LogP4.63
Rot. Bonds

About 4-bromo-3-chloro-6-methyl-1-benzothiophene

4-bromo-3-chloro-6-methyl-1-benzothiophene (PubChem CID 91756717) has the molecular formula C9H6BrClS and a molecular weight of 261.57 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-methyl-1-benzothiophene.

Molecular Properties

Compound Name4-bromo-3-chloro-6-methyl-1-benzothiophene
PubChem CID91756717
Molecular FormulaC9H6BrClS
Molecular Weight261.57 g/mol
Exact Mass259.91
IUPAC Name4-bromo-3-chloro-6-methyl-1-benzothiophene
SMILESCc1cc(Br)c2c(Cl)csc2c1
InChIInChI=1S/C9H6BrClS/c1-5-2-6(10)9-7(11)4-12-8(9)3-5/h2-4H,1H3
InChIKeyGJNIYMJAXPJQNZ-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

4-bromo-3-(bromomethyl)-6-methyl-1-benzothiophene
CID 130865317
4-bromo-3-chloro-1-benzothiophene-6-carbaldehyde
CID 130971687
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
6-bromo-3-chloro-1-benzothiophen-4-ol
CID 130925677
3-bromo-6-methyl-4-nitro-1-benzothiophene
CID 130805692
3,4,6-trimethyl-1-benzothiophene
CID 20824554
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
4-bromo-3-methyl-1-benzothiophen-6-amine
CID 130961025
5-bromo-3,6-dichloro-1-benzothiophene
CID 131053565
3-fluoro-4,6-dimethyl-1-benzothiophene
CID 130956380
(4-bromo-3-methyl-1-benzothiophen-6-yl)methanol
CID 130839310
6-bromo-4-chloro-3-ethyl-1-benzothiophene
CID 131119385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-methyl-1-benzothiophene?
The IUPAC name of 4-bromo-3-chloro-6-methyl-1-benzothiophene (CID 91756717) is 4-bromo-3-chloro-6-methyl-1-benzothiophene.
What is the SMILES notation for 4-bromo-3-chloro-6-methyl-1-benzothiophene?
The canonical SMILES for 4-bromo-3-chloro-6-methyl-1-benzothiophene is Cc1cc(Br)c2c(Cl)csc2c1.
What is the InChIKey of 4-bromo-3-chloro-6-methyl-1-benzothiophene?
The InChIKey is GJNIYMJAXPJQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS/c1-5-2-6(10)9-7(11)4-12-8(9)3-5/h2-4H,1H3.
What are the key properties of 4-bromo-3-chloro-6-methyl-1-benzothiophene?
4-bromo-3-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 4-bromo-3-chloro-6-methyl-1-benzothiophene is sourced from PubChem (CID 91756717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).