2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene

C8H2Cl4S2 — CID 7832025

IUPAC2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene
SMILESClc1cc(-c2cc(Cl)sc2Cl)c(Cl)s1
InChIInChI=1S/C8H2Cl4S2/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h1-2H
InChIKeyOFZKNVGMXFNOBJ-UHFFFAOYSA-N
MW304.05 g/mol
LogP6.09
Rot. Bonds1

About 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene

2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene (PubChem CID 7832025) has the molecular formula C8H2Cl4S2 and a molecular weight of 304.05 g/mol. Its IUPAC name is 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene
PubChem CID7832025
Molecular FormulaC8H2Cl4S2
Molecular Weight304.05 g/mol
Exact Mass301.84
IUPAC Name2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene
SMILESClc1cc(-c2cc(Cl)sc2Cl)c(Cl)s1
InChIInChI=1S/C8H2Cl4S2/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h1-2H
InChIKeyOFZKNVGMXFNOBJ-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.05
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene?
The IUPAC name of 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene (CID 7832025) is 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene.
What is the SMILES notation for 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene?
The canonical SMILES for 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene is Clc1cc(-c2cc(Cl)sc2Cl)c(Cl)s1.
What is the InChIKey of 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene?
The InChIKey is OFZKNVGMXFNOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl4S2/c9-5-1-3(7(11)13-5)4-2-6(10)14-8(4)12/h1-2H.
What are the key properties of 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene?
2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene has a molecular weight of 304.05 g/mol, XLogP of 6.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2,5-dichlorothiophen-3-yl)thiophene is sourced from PubChem (CID 7832025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).