2,5-dibromothiophene-3,4-dicarbonitrile

C6Br2N2S — CID 59523037

IUPAC2,5-dibromothiophene-3,4-dicarbonitrile
SMILESN#Cc1c(Br)sc(Br)c1C#N
InChIInChI=1S/C6Br2N2S/c7-5-3(1-9)4(2-10)6(8)11-5
InChIKeyTUSNKPAYLNZNIL-UHFFFAOYSA-N
MW291.96 g/mol
LogP3.02
Rot. Bonds

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

2,5-dibromothiophene-3,4-dicarbonitrile (PubChem CID 59523037) has the molecular formula C6Br2N2S and a molecular weight of 291.96 g/mol. Its IUPAC name is 2,5-dibromothiophene-3,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-dibromothiophene-3,4-dicarbonitrile
PubChem CID59523037
Molecular FormulaC6Br2N2S
Molecular Weight291.96 g/mol
Exact Mass289.81
IUPAC Name2,5-dibromothiophene-3,4-dicarbonitrile
SMILESN#Cc1c(Br)sc(Br)c1C#N
InChIInChI=1S/C6Br2N2S/c7-5-3(1-9)4(2-10)6(8)11-5
InChIKeyTUSNKPAYLNZNIL-UHFFFAOYSA-N
XLogP3.02
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.96
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromothiophene-3,4-dicarbonitrile?
The IUPAC name of 2,5-dibromothiophene-3,4-dicarbonitrile (CID 59523037) is 2,5-dibromothiophene-3,4-dicarbonitrile.
What is the SMILES notation for 2,5-dibromothiophene-3,4-dicarbonitrile?
The canonical SMILES for 2,5-dibromothiophene-3,4-dicarbonitrile is N#Cc1c(Br)sc(Br)c1C#N.
What is the InChIKey of 2,5-dibromothiophene-3,4-dicarbonitrile?
The InChIKey is TUSNKPAYLNZNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Br2N2S/c7-5-3(1-9)4(2-10)6(8)11-5.
What are the key properties of 2,5-dibromothiophene-3,4-dicarbonitrile?
2,5-dibromothiophene-3,4-dicarbonitrile has a molecular weight of 291.96 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromothiophene-3,4-dicarbonitrile is sourced from PubChem (CID 59523037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).