5-iodo-2-methoxy-1-benzothiophen-4-amine

C9H8INOS — CID 130970049

IUPAC5-iodo-2-methoxy-1-benzothiophen-4-amine
SMILESCOc1cc2c(N)c(I)ccc2s1
InChIInChI=1S/C9H8INOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3
InChIKeyRWTBVDWEYBYLAF-UHFFFAOYSA-N
MW305.14 g/mol
LogP3.10
Rot. Bonds1

About 5-iodo-2-methoxy-1-benzothiophen-4-amine

5-iodo-2-methoxy-1-benzothiophen-4-amine (PubChem CID 130970049) has the molecular formula C9H8INOS and a molecular weight of 305.14 g/mol. Its IUPAC name is 5-iodo-2-methoxy-1-benzothiophen-4-amine.

Molecular Properties

Compound Name5-iodo-2-methoxy-1-benzothiophen-4-amine
PubChem CID130970049
Molecular FormulaC9H8INOS
Molecular Weight305.14 g/mol
Exact Mass304.94
IUPAC Name5-iodo-2-methoxy-1-benzothiophen-4-amine
SMILESCOc1cc2c(N)c(I)ccc2s1
InChIInChI=1S/C9H8INOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3
InChIKeyRWTBVDWEYBYLAF-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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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methoxy-1-benzothiophen-4-amine?
The IUPAC name of 5-iodo-2-methoxy-1-benzothiophen-4-amine (CID 130970049) is 5-iodo-2-methoxy-1-benzothiophen-4-amine.
What is the SMILES notation for 5-iodo-2-methoxy-1-benzothiophen-4-amine?
The canonical SMILES for 5-iodo-2-methoxy-1-benzothiophen-4-amine is COc1cc2c(N)c(I)ccc2s1.
What is the InChIKey of 5-iodo-2-methoxy-1-benzothiophen-4-amine?
The InChIKey is RWTBVDWEYBYLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INOS/c1-12-8-4-5-7(13-8)3-2-6(10)9(5)11/h2-4H,11H2,1H3.
What are the key properties of 5-iodo-2-methoxy-1-benzothiophen-4-amine?
5-iodo-2-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 5-iodo-2-methoxy-1-benzothiophen-4-amine is sourced from PubChem (CID 130970049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).