2,3-diiodo-1-benzothiophene

C8H4I2S — CID 11014515

IUPAC2,3-diiodo-1-benzothiophene
SMILESIc1sc2ccccc2c1I
InChIInChI=1S/C8H4I2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKeyRMKFDURRPLVZKM-UHFFFAOYSA-N
MW386.00 g/mol
LogP4.11
Rot. Bonds

About 2,3-diiodo-1-benzothiophene

2,3-diiodo-1-benzothiophene (PubChem CID 11014515) has the molecular formula C8H4I2S and a molecular weight of 386.00 g/mol. Its IUPAC name is 2,3-diiodo-1-benzothiophene.

Molecular Properties

Compound Name2,3-diiodo-1-benzothiophene
PubChem CID11014515
Molecular FormulaC8H4I2S
Molecular Weight386.00 g/mol
Exact Mass385.81
IUPAC Name2,3-diiodo-1-benzothiophene
SMILESIc1sc2ccccc2c1I
InChIInChI=1S/C8H4I2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChIKeyRMKFDURRPLVZKM-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.00
LogP ≤ 54.11
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 2,3-diiodo-1-benzothiophene?
The IUPAC name of 2,3-diiodo-1-benzothiophene (CID 11014515) is 2,3-diiodo-1-benzothiophene.
What is the SMILES notation for 2,3-diiodo-1-benzothiophene?
The canonical SMILES for 2,3-diiodo-1-benzothiophene is Ic1sc2ccccc2c1I.
What is the InChIKey of 2,3-diiodo-1-benzothiophene?
The InChIKey is RMKFDURRPLVZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H.
What are the key properties of 2,3-diiodo-1-benzothiophene?
2,3-diiodo-1-benzothiophene has a molecular weight of 386.00 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodo-1-benzothiophene is sourced from PubChem (CID 11014515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).