4,5-dibromo-7-methoxy-1-benzothiophene

C9H6Br2OS — CID 130926286

IUPAC4,5-dibromo-7-methoxy-1-benzothiophene
SMILESCOc1cc(Br)c(Br)c2ccsc12
InChIInChI=1S/C9H6Br2OS/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3
InChIKeyKZJZMJGXAYMJLA-UHFFFAOYSA-N
MW322.02 g/mol
LogP4.43
Rot. Bonds1

About 4,5-dibromo-7-methoxy-1-benzothiophene

4,5-dibromo-7-methoxy-1-benzothiophene (PubChem CID 130926286) has the molecular formula C9H6Br2OS and a molecular weight of 322.02 g/mol. Its IUPAC name is 4,5-dibromo-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4,5-dibromo-7-methoxy-1-benzothiophene
PubChem CID130926286
Molecular FormulaC9H6Br2OS
Molecular Weight322.02 g/mol
Exact Mass319.85
IUPAC Name4,5-dibromo-7-methoxy-1-benzothiophene
SMILESCOc1cc(Br)c(Br)c2ccsc12
InChIInChI=1S/C9H6Br2OS/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3
InChIKeyKZJZMJGXAYMJLA-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.02
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,7-dimethoxy-1-benzothiophene
CID 11095506
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
4,7-dibromo-1-benzothiophene-5-thiol
CID 130926470
6-methoxythieno[2,3-h]chromen-2-one
CID 14235198
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
4-fluoro-5-methoxy-7-methyl-1-benzothiophene
CID 130925600

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-7-methoxy-1-benzothiophene?
The IUPAC name of 4,5-dibromo-7-methoxy-1-benzothiophene (CID 130926286) is 4,5-dibromo-7-methoxy-1-benzothiophene.
What is the SMILES notation for 4,5-dibromo-7-methoxy-1-benzothiophene?
The canonical SMILES for 4,5-dibromo-7-methoxy-1-benzothiophene is COc1cc(Br)c(Br)c2ccsc12.
What is the InChIKey of 4,5-dibromo-7-methoxy-1-benzothiophene?
The InChIKey is KZJZMJGXAYMJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2OS/c1-12-7-4-6(10)8(11)5-2-3-13-9(5)7/h2-4H,1H3.
What are the key properties of 4,5-dibromo-7-methoxy-1-benzothiophene?
4,5-dibromo-7-methoxy-1-benzothiophene has a molecular weight of 322.02 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-7-methoxy-1-benzothiophene is sourced from PubChem (CID 130926286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).