3,4-dichlorothiophene-2,5-dicarbonitrile

C6Cl2N2S — CID 608818

IUPAC3,4-dichlorothiophene-2,5-dicarbonitrile
SMILESN#Cc1sc(C#N)c(Cl)c1Cl
InChIInChI=1S/C6Cl2N2S/c7-5-3(1-9)11-4(2-10)6(5)8
InChIKeyZPRXPUQEULTGOF-UHFFFAOYSA-N
MW203.05 g/mol
LogP2.80
Rot. Bonds

About 3,4-dichlorothiophene-2,5-dicarbonitrile

3,4-dichlorothiophene-2,5-dicarbonitrile (PubChem CID 608818) has the molecular formula C6Cl2N2S and a molecular weight of 203.05 g/mol. Its IUPAC name is 3,4-dichlorothiophene-2,5-dicarbonitrile.

Molecular Properties

Compound Name3,4-dichlorothiophene-2,5-dicarbonitrile
PubChem CID608818
Molecular FormulaC6Cl2N2S
Molecular Weight203.05 g/mol
Exact Mass201.92
IUPAC Name3,4-dichlorothiophene-2,5-dicarbonitrile
SMILESN#Cc1sc(C#N)c(Cl)c1Cl
InChIInChI=1S/C6Cl2N2S/c7-5-3(1-9)11-4(2-10)6(5)8
InChIKeyZPRXPUQEULTGOF-UHFFFAOYSA-N
XLogP2.80
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.05
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichlorothiophene-2,5-dicarbonitrile?
The IUPAC name of 3,4-dichlorothiophene-2,5-dicarbonitrile (CID 608818) is 3,4-dichlorothiophene-2,5-dicarbonitrile.
What is the SMILES notation for 3,4-dichlorothiophene-2,5-dicarbonitrile?
The canonical SMILES for 3,4-dichlorothiophene-2,5-dicarbonitrile is N#Cc1sc(C#N)c(Cl)c1Cl.
What is the InChIKey of 3,4-dichlorothiophene-2,5-dicarbonitrile?
The InChIKey is ZPRXPUQEULTGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2N2S/c7-5-3(1-9)11-4(2-10)6(5)8.
What are the key properties of 3,4-dichlorothiophene-2,5-dicarbonitrile?
3,4-dichlorothiophene-2,5-dicarbonitrile has a molecular weight of 203.05 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichlorothiophene-2,5-dicarbonitrile is sourced from PubChem (CID 608818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).