4,6-diiodo-7-methoxy-1-benzothiophene

C9H6I2OS — CID 130926208

IUPAC4,6-diiodo-7-methoxy-1-benzothiophene
SMILESCOc1c(I)cc(I)c2ccsc12
InChIInChI=1S/C9H6I2OS/c1-12-8-7(11)4-6(10)5-2-3-13-9(5)8/h2-4H,1H3
InChIKeyRTJVPABQYSKHEO-UHFFFAOYSA-N
MW416.02 g/mol
LogP4.12
Rot. Bonds1

About 4,6-diiodo-7-methoxy-1-benzothiophene

4,6-diiodo-7-methoxy-1-benzothiophene (PubChem CID 130926208) has the molecular formula C9H6I2OS and a molecular weight of 416.02 g/mol. Its IUPAC name is 4,6-diiodo-7-methoxy-1-benzothiophene.

Molecular Properties

Compound Name4,6-diiodo-7-methoxy-1-benzothiophene
PubChem CID130926208
Molecular FormulaC9H6I2OS
Molecular Weight416.02 g/mol
Exact Mass415.82
IUPAC Name4,6-diiodo-7-methoxy-1-benzothiophene
SMILESCOc1c(I)cc(I)c2ccsc12
InChIInChI=1S/C9H6I2OS/c1-12-8-7(11)4-6(10)5-2-3-13-9(5)8/h2-4H,1H3
InChIKeyRTJVPABQYSKHEO-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.02
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,6-diiodo-7-methoxy-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

Related Compounds

4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
7-(chloromethyl)-5-iodo-4-methoxy-1-benzothiophene
CID 131122640
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
4,6-diiodo-1-benzothiophene-7-thiol
CID 130969520
6-(chloromethyl)-4-iodo-7-methyl-1-benzothiophene
CID 131218792
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940
6-fluoro-4,7-diiodo-1-benzothiophene
CID 130883078
4-methoxy-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 58400818
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112

Frequently Asked Questions

What is the IUPAC name of 4,6-diiodo-7-methoxy-1-benzothiophene?
The IUPAC name of 4,6-diiodo-7-methoxy-1-benzothiophene (CID 130926208) is 4,6-diiodo-7-methoxy-1-benzothiophene.
What is the SMILES notation for 4,6-diiodo-7-methoxy-1-benzothiophene?
The canonical SMILES for 4,6-diiodo-7-methoxy-1-benzothiophene is COc1c(I)cc(I)c2ccsc12.
What is the InChIKey of 4,6-diiodo-7-methoxy-1-benzothiophene?
The InChIKey is RTJVPABQYSKHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6I2OS/c1-12-8-7(11)4-6(10)5-2-3-13-9(5)8/h2-4H,1H3.
What are the key properties of 4,6-diiodo-7-methoxy-1-benzothiophene?
4,6-diiodo-7-methoxy-1-benzothiophene has a molecular weight of 416.02 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodo-7-methoxy-1-benzothiophene is sourced from PubChem (CID 130926208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).