3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene

C8H3ClI2S2 — CID 71697732

IUPAC3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene
SMILESClc1cc(I)sc1-c1ccc(I)s1
InChIInChI=1S/C8H3ClI2S2/c9-4-3-7(11)13-8(4)5-1-2-6(10)12-5/h1-3H
InChIKeyOVDNKOPWSRBJJV-UHFFFAOYSA-N
MW452.51 g/mol
LogP5.34
Rot. Bonds1

About 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene

3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene (PubChem CID 71697732) has the molecular formula C8H3ClI2S2 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene.

Molecular Properties

Compound Name3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene
PubChem CID71697732
Molecular FormulaC8H3ClI2S2
Molecular Weight452.51 g/mol
Exact Mass451.75
IUPAC Name3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene
SMILESClc1cc(I)sc1-c1ccc(I)s1
InChIInChI=1S/C8H3ClI2S2/c9-4-3-7(11)13-8(4)5-1-2-6(10)12-5/h1-3H
InChIKeyOVDNKOPWSRBJJV-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene?
The IUPAC name of 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene (CID 71697732) is 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene.
What is the SMILES notation for 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene?
The canonical SMILES for 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene is Clc1cc(I)sc1-c1ccc(I)s1.
What is the InChIKey of 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene?
The InChIKey is OVDNKOPWSRBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClI2S2/c9-4-3-7(11)13-8(4)5-1-2-6(10)12-5/h1-3H.
What are the key properties of 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene?
3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene has a molecular weight of 452.51 g/mol, XLogP of 5.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodo-2-(5-iodothiophen-2-yl)thiophene is sourced from PubChem (CID 71697732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).