2-iodothiophene

C4H3IS — CID 18921

IUPAC2-iodothiophene
SMILESIc1cccs1
InChIInChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
InChIKeyROIMNSWDOJCBFR-UHFFFAOYSA-N
MW210.04 g/mol
LogP2.35
Rot. Bonds

About 2-iodothiophene

2-iodothiophene (PubChem CID 18921) has the molecular formula C4H3IS and a molecular weight of 210.04 g/mol. Its IUPAC name is 2-iodothiophene.

Molecular Properties

Compound Name2-iodothiophene
PubChem CID18921
Molecular FormulaC4H3IS
Molecular Weight210.04 g/mol
Exact Mass209.90
IUPAC Name2-iodothiophene
SMILESIc1cccs1
InChIInChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H
InChIKeyROIMNSWDOJCBFR-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 52.35
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-iodothiophene?
The IUPAC name of 2-iodothiophene (CID 18921) is 2-iodothiophene.
What is the SMILES notation for 2-iodothiophene?
The canonical SMILES for 2-iodothiophene is Ic1cccs1.
What is the InChIKey of 2-iodothiophene?
The InChIKey is ROIMNSWDOJCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IS/c5-4-2-1-3-6-4/h1-3H.
What are the key properties of 2-iodothiophene?
2-iodothiophene has a molecular weight of 210.04 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodothiophene is sourced from PubChem (CID 18921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).