2,3-diiodothiophene

C4H2I2S — CID 630668

IUPAC2,3-diiodothiophene
SMILESIc1ccsc1I
InChIInChI=1S/C4H2I2S/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyBUXDZKJHNFMYJT-UHFFFAOYSA-N
MW335.94 g/mol
LogP2.96
Rot. Bonds

About 2,3-diiodothiophene

2,3-diiodothiophene (PubChem CID 630668) has the molecular formula C4H2I2S and a molecular weight of 335.94 g/mol. Its IUPAC name is 2,3-diiodothiophene.

Molecular Properties

Compound Name2,3-diiodothiophene
PubChem CID630668
Molecular FormulaC4H2I2S
Molecular Weight335.94 g/mol
Exact Mass335.80
IUPAC Name2,3-diiodothiophene
SMILESIc1ccsc1I
InChIInChI=1S/C4H2I2S/c5-3-1-2-7-4(3)6/h1-2H
InChIKeyBUXDZKJHNFMYJT-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.94
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-iodothiophen-2-yl)ethanamine
CID 130160720
3-chloro-2-iodothiophene
CID 19963271
2-iodo-3-[iodo-(2-iodothiophen-3-yl)methyl]thiophene
CID 134971572
1-(3-iodothiophen-2-yl)-3-methylbutan-1-ol
CID 130361043
2-iodo-3-thiophen-3-ylthiophene
CID 90185098
1-(3-iodothiophen-2-yl)but-3-en-1-amine
CID 130160724
N-hydroxy-3-iodothiophene-2-carboxamide
CID 130576418
3-(3-iodothiophen-2-yl)prop-2-ynenitrile
CID 130576824
3-iodo-2-[(E)-2-phenylethenyl]thiophene
CID 135300234
1-(3-iodothiophen-2-yl)-2-methylpropan-2-ol
CID 137364097
(3-iodothiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 130914169
3-(3-iodothiophen-2-yl)-3-oxopropanenitrile
CID 130576825

Frequently Asked Questions

What is the IUPAC name of 2,3-diiodothiophene?
The IUPAC name of 2,3-diiodothiophene (CID 630668) is 2,3-diiodothiophene.
What is the SMILES notation for 2,3-diiodothiophene?
The canonical SMILES for 2,3-diiodothiophene is Ic1ccsc1I.
What is the InChIKey of 2,3-diiodothiophene?
The InChIKey is BUXDZKJHNFMYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2I2S/c5-3-1-2-7-4(3)6/h1-2H.
What are the key properties of 2,3-diiodothiophene?
2,3-diiodothiophene has a molecular weight of 335.94 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diiodothiophene is sourced from PubChem (CID 630668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).