4-iodo-6,7-dimethoxy-1-benzothiophene

C10H9IO2S — CID 131033981

IUPAC4-iodo-6,7-dimethoxy-1-benzothiophene
SMILESCOc1cc(I)c2ccsc2c1OC
InChIInChI=1S/C10H9IO2S/c1-12-8-5-7(11)6-3-4-14-10(6)9(8)13-2/h3-5H,1-2H3
InChIKeyHPJCIZWZNBZBQQ-UHFFFAOYSA-N
MW320.15 g/mol
LogP3.52
Rot. Bonds2

About 4-iodo-6,7-dimethoxy-1-benzothiophene

4-iodo-6,7-dimethoxy-1-benzothiophene (PubChem CID 131033981) has the molecular formula C10H9IO2S and a molecular weight of 320.15 g/mol. Its IUPAC name is 4-iodo-6,7-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name4-iodo-6,7-dimethoxy-1-benzothiophene
PubChem CID131033981
Molecular FormulaC10H9IO2S
Molecular Weight320.15 g/mol
Exact Mass319.94
IUPAC Name4-iodo-6,7-dimethoxy-1-benzothiophene
SMILESCOc1cc(I)c2ccsc2c1OC
InChIInChI=1S/C10H9IO2S/c1-12-8-5-7(11)6-3-4-14-10(6)9(8)13-2/h3-5H,1-2H3
InChIKeyHPJCIZWZNBZBQQ-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4,7-dimethoxy-1-benzothiophene
CID 11095506
6,7-dimethoxy-1-benzothiophene
CID 23321121
6-bromo-3-iodo-7-methoxy-1-benzothiophene
CID 130805844

Frequently Asked Questions

What is the IUPAC name of 4-iodo-6,7-dimethoxy-1-benzothiophene?
The IUPAC name of 4-iodo-6,7-dimethoxy-1-benzothiophene (CID 131033981) is 4-iodo-6,7-dimethoxy-1-benzothiophene.
What is the SMILES notation for 4-iodo-6,7-dimethoxy-1-benzothiophene?
The canonical SMILES for 4-iodo-6,7-dimethoxy-1-benzothiophene is COc1cc(I)c2ccsc2c1OC.
What is the InChIKey of 4-iodo-6,7-dimethoxy-1-benzothiophene?
The InChIKey is HPJCIZWZNBZBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IO2S/c1-12-8-5-7(11)6-3-4-14-10(6)9(8)13-2/h3-5H,1-2H3.
What are the key properties of 4-iodo-6,7-dimethoxy-1-benzothiophene?
4-iodo-6,7-dimethoxy-1-benzothiophene has a molecular weight of 320.15 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-6,7-dimethoxy-1-benzothiophene is sourced from PubChem (CID 131033981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).