3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene

C8H3Cl3S2 — CID 14639936

IUPAC3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene
SMILESClc1csc(-c2sc(Cl)cc2Cl)c1
InChIInChI=1S/C8H3Cl3S2/c9-4-1-6(12-3-4)8-5(10)2-7(11)13-8/h1-3H
InChIKeyKBCYVNDKDDZDBT-UHFFFAOYSA-N
MW269.61 g/mol
LogP5.44
Rot. Bonds1

About 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene

3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene (PubChem CID 14639936) has the molecular formula C8H3Cl3S2 and a molecular weight of 269.61 g/mol. Its IUPAC name is 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene.

Molecular Properties

Compound Name3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene
PubChem CID14639936
Molecular FormulaC8H3Cl3S2
Molecular Weight269.61 g/mol
Exact Mass267.87
IUPAC Name3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene
SMILESClc1csc(-c2sc(Cl)cc2Cl)c1
InChIInChI=1S/C8H3Cl3S2/c9-4-1-6(12-3-4)8-5(10)2-7(11)13-8/h1-3H
InChIKeyKBCYVNDKDDZDBT-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.61
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene?
The IUPAC name of 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene (CID 14639936) is 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene.
What is the SMILES notation for 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene?
The canonical SMILES for 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene is Clc1csc(-c2sc(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene?
The InChIKey is KBCYVNDKDDZDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl3S2/c9-4-1-6(12-3-4)8-5(10)2-7(11)13-8/h1-3H.
What are the key properties of 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene?
3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene has a molecular weight of 269.61 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(4-chlorothiophen-2-yl)thiophene is sourced from PubChem (CID 14639936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).