6-bromo-3-methoxy-1-benzothiophene

C9H7BrOS — CID 44533098

IUPAC6-bromo-3-methoxy-1-benzothiophene
SMILESCOc1csc2cc(Br)ccc12
InChIInChI=1S/C9H7BrOS/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-5H,1H3
InChIKeyZXBZGTCHIPVSHU-UHFFFAOYSA-N
MW243.12 g/mol
LogP3.67
Rot. Bonds1

About 6-bromo-3-methoxy-1-benzothiophene

6-bromo-3-methoxy-1-benzothiophene (PubChem CID 44533098) has the molecular formula C9H7BrOS and a molecular weight of 243.12 g/mol. Its IUPAC name is 6-bromo-3-methoxy-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-3-methoxy-1-benzothiophene
PubChem CID44533098
Molecular FormulaC9H7BrOS
Molecular Weight243.12 g/mol
Exact Mass241.94
IUPAC Name6-bromo-3-methoxy-1-benzothiophene
SMILESCOc1csc2cc(Br)ccc12
InChIInChI=1S/C9H7BrOS/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-5H,1H3
InChIKeyZXBZGTCHIPVSHU-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-1-benzothiophene?
The IUPAC name of 6-bromo-3-methoxy-1-benzothiophene (CID 44533098) is 6-bromo-3-methoxy-1-benzothiophene.
What is the SMILES notation for 6-bromo-3-methoxy-1-benzothiophene?
The canonical SMILES for 6-bromo-3-methoxy-1-benzothiophene is COc1csc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-methoxy-1-benzothiophene?
The InChIKey is ZXBZGTCHIPVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrOS/c1-11-8-5-12-9-4-6(10)2-3-7(8)9/h2-5H,1H3.
What are the key properties of 6-bromo-3-methoxy-1-benzothiophene?
6-bromo-3-methoxy-1-benzothiophene has a molecular weight of 243.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-1-benzothiophene is sourced from PubChem (CID 44533098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).