4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde

C10H7IOS — CID 130985887

IUPAC4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1ccc(I)c2cc(C=O)sc12
InChIInChI=1S/C10H7IOS/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-5H,1H3
InChIKeyAVYAWMDIXAJFHD-UHFFFAOYSA-N
MW302.14 g/mol
LogP3.63
Rot. Bonds1

About 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde

4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 130985887) has the molecular formula C10H7IOS and a molecular weight of 302.14 g/mol. Its IUPAC name is 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID130985887
Molecular FormulaC10H7IOS
Molecular Weight302.14 g/mol
Exact Mass301.93
IUPAC Name4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde
SMILESCc1ccc(I)c2cc(C=O)sc12
InChIInChI=1S/C10H7IOS/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-5H,1H3
InChIKeyAVYAWMDIXAJFHD-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.14
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde (CID 130985887) is 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde is Cc1ccc(I)c2cc(C=O)sc12.
What is the InChIKey of 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is AVYAWMDIXAJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IOS/c1-6-2-3-9(11)8-4-7(5-12)13-10(6)8/h2-5H,1H3.
What are the key properties of 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde?
4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 302.14 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 130985887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).