4-iodo-7-methoxy-1-benzothiophen-5-amine

C9H8INOS — CID 130788772

IUPAC4-iodo-7-methoxy-1-benzothiophen-5-amine
SMILESCOc1cc(N)c(I)c2ccsc12
InChIInChI=1S/C9H8INOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3
InChIKeyLCPGWUHUZIRZMS-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.10
Rot. Bonds1

About 4-iodo-7-methoxy-1-benzothiophen-5-amine

4-iodo-7-methoxy-1-benzothiophen-5-amine (PubChem CID 130788772) has the molecular formula C9H8INOS and a molecular weight of 305.14 g/mol. Its IUPAC name is 4-iodo-7-methoxy-1-benzothiophen-5-amine.

Molecular Properties

Compound Name4-iodo-7-methoxy-1-benzothiophen-5-amine
PubChem CID130788772
Molecular FormulaC9H8INOS
Molecular Weight305.14 g/mol
Exact Mass304.94
IUPAC Name4-iodo-7-methoxy-1-benzothiophen-5-amine
SMILESCOc1cc(N)c(I)c2ccsc12
InChIInChI=1S/C9H8INOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3
InChIKeyLCPGWUHUZIRZMS-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
4,7-dimethoxy-1-benzothiophene
CID 11095506
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-bromo-4,7-dimethoxy-1-benzothiophene
CID 130914431
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
6,9-dimethoxyphenanthro[9,10-b]thiophene
CID 89375674
6-iodo-7-methyl-1-benzothiophen-4-amine
CID 130870594

Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methoxy-1-benzothiophen-5-amine?
The IUPAC name of 4-iodo-7-methoxy-1-benzothiophen-5-amine (CID 130788772) is 4-iodo-7-methoxy-1-benzothiophen-5-amine.
What is the SMILES notation for 4-iodo-7-methoxy-1-benzothiophen-5-amine?
The canonical SMILES for 4-iodo-7-methoxy-1-benzothiophen-5-amine is COc1cc(N)c(I)c2ccsc12.
What is the InChIKey of 4-iodo-7-methoxy-1-benzothiophen-5-amine?
The InChIKey is LCPGWUHUZIRZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS/c1-12-7-4-6(11)8(10)5-2-3-13-9(5)7/h2-4H,11H2,1H3.
What are the key properties of 4-iodo-7-methoxy-1-benzothiophen-5-amine?
4-iodo-7-methoxy-1-benzothiophen-5-amine has a molecular weight of 305.14 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methoxy-1-benzothiophen-5-amine is sourced from PubChem (CID 130788772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).