7-iodo-3-methoxy-1-benzothiophen-4-amine

C9H8INOS — CID 130788770

IUPAC7-iodo-3-methoxy-1-benzothiophen-4-amine
SMILESCOc1csc2c(I)ccc(N)c12
InChIInChI=1S/C9H8INOS/c1-12-7-4-13-9-5(10)2-3-6(11)8(7)9/h2-4H,11H2,1H3
InChIKeyJTPUIWCGVFWZJO-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.10
Rot. Bonds1

About 7-iodo-3-methoxy-1-benzothiophen-4-amine

7-iodo-3-methoxy-1-benzothiophen-4-amine (PubChem CID 130788770) has the molecular formula C9H8INOS and a molecular weight of 305.14 g/mol. Its IUPAC name is 7-iodo-3-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name7-iodo-3-methoxy-1-benzothiophen-4-amine
PubChem CID130788770
Molecular FormulaC9H8INOS
Molecular Weight305.14 g/mol
Exact Mass304.94
IUPAC Name7-iodo-3-methoxy-1-benzothiophen-4-amine
SMILESCOc1csc2c(I)ccc(N)c12
InChIInChI=1S/C9H8INOS/c1-12-7-4-13-9-5(10)2-3-6(11)8(7)9/h2-4H,11H2,1H3
InChIKeyJTPUIWCGVFWZJO-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

3-amino-7-iodo-1-benzothiophene-4-thiol
CID 130821055
6-iodo-3-methoxy-1-benzothiophene-7-thiol
CID 130839599
4-fluoro-7-methoxy-1-benzothiophen-3-amine
CID 130866136
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
4-iodo-3-methoxy-6-methyl-1-benzothiophene
CID 130941722
2-iodo-5-methoxyaniline
CID 11139508
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
6-iodo-3,4-dimethoxy-1-benzothiophene
CID 131053482
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
methyl 4-chloro-3-methoxy-1-benzothiophene-7-carboxylate
CID 57012464
3,4-dimethoxythiophen-2-amine
CID 88979037
4-(chloromethyl)-3-methoxy-7-methyl-1-benzothiophene
CID 130898608

Frequently Asked Questions

What is the IUPAC name of 7-iodo-3-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 7-iodo-3-methoxy-1-benzothiophen-4-amine (CID 130788770) is 7-iodo-3-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 7-iodo-3-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 7-iodo-3-methoxy-1-benzothiophen-4-amine is COc1csc2c(I)ccc(N)c12.
What is the InChIKey of 7-iodo-3-methoxy-1-benzothiophen-4-amine?
The InChIKey is JTPUIWCGVFWZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS/c1-12-7-4-13-9-5(10)2-3-6(11)8(7)9/h2-4H,11H2,1H3.
What are the key properties of 7-iodo-3-methoxy-1-benzothiophen-4-amine?
7-iodo-3-methoxy-1-benzothiophen-4-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 7-iodo-3-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 130788770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).