3-(3-iodophenyl)thiophene

C10H7IS — CID 123818014

IUPAC3-(3-iodophenyl)thiophene
SMILESIc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H7IS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H
InChIKeyIDAPPDNRFCPHKG-UHFFFAOYSA-N
MW286.14 g/mol
LogP4.02
Rot. Bonds1

About 3-(3-iodophenyl)thiophene

3-(3-iodophenyl)thiophene (PubChem CID 123818014) has the molecular formula C10H7IS and a molecular weight of 286.14 g/mol. Its IUPAC name is 3-(3-iodophenyl)thiophene.

Molecular Properties

Compound Name3-(3-iodophenyl)thiophene
PubChem CID123818014
Molecular FormulaC10H7IS
Molecular Weight286.14 g/mol
Exact Mass285.93
IUPAC Name3-(3-iodophenyl)thiophene
SMILESIc1cccc(-c2ccsc2)c1
InChIInChI=1S/C10H7IS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H
InChIKeyIDAPPDNRFCPHKG-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 54.02
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 3-(3-iodophenyl)thiophene?
The IUPAC name of 3-(3-iodophenyl)thiophene (CID 123818014) is 3-(3-iodophenyl)thiophene.
What is the SMILES notation for 3-(3-iodophenyl)thiophene?
The canonical SMILES for 3-(3-iodophenyl)thiophene is Ic1cccc(-c2ccsc2)c1.
What is the InChIKey of 3-(3-iodophenyl)thiophene?
The InChIKey is IDAPPDNRFCPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IS/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-7H.
What are the key properties of 3-(3-iodophenyl)thiophene?
3-(3-iodophenyl)thiophene has a molecular weight of 286.14 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenyl)thiophene is sourced from PubChem (CID 123818014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).