2-iodo-1-benzothiophene

C8H5IS — CID 11470946

IUPAC2-iodo-1-benzothiophene
SMILESIc1cc2ccccc2s1
InChIInChI=1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyXNCFWDHWACGQBN-UHFFFAOYSA-N
MW260.10 g/mol
LogP3.51
Rot. Bonds

About 2-iodo-1-benzothiophene

2-iodo-1-benzothiophene (PubChem CID 11470946) has the molecular formula C8H5IS and a molecular weight of 260.10 g/mol. Its IUPAC name is 2-iodo-1-benzothiophene.

Molecular Properties

Compound Name2-iodo-1-benzothiophene
PubChem CID11470946
Molecular FormulaC8H5IS
Molecular Weight260.10 g/mol
Exact Mass259.92
IUPAC Name2-iodo-1-benzothiophene
SMILESIc1cc2ccccc2s1
InChIInChI=1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H
InChIKeyXNCFWDHWACGQBN-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-benzothiophene?
The IUPAC name of 2-iodo-1-benzothiophene (CID 11470946) is 2-iodo-1-benzothiophene.
What is the SMILES notation for 2-iodo-1-benzothiophene?
The canonical SMILES for 2-iodo-1-benzothiophene is Ic1cc2ccccc2s1.
What is the InChIKey of 2-iodo-1-benzothiophene?
The InChIKey is XNCFWDHWACGQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H.
What are the key properties of 2-iodo-1-benzothiophene?
2-iodo-1-benzothiophene has a molecular weight of 260.10 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-benzothiophene is sourced from PubChem (CID 11470946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).