5-methylthiophene-2,3-dicarbonitrile

C7H4N2S — CID 6423278

IUPAC5-methylthiophene-2,3-dicarbonitrile
SMILESCc1cc(C#N)c(C#N)s1
InChIInChI=1S/C7H4N2S/c1-5-2-6(3-8)7(4-9)10-5/h2H,1H3
InChIKeyMLHFFYGKSAWGOZ-UHFFFAOYSA-N
MW148.19 g/mol
LogP1.80
Rot. Bonds

About 5-methylthiophene-2,3-dicarbonitrile

5-methylthiophene-2,3-dicarbonitrile (PubChem CID 6423278) has the molecular formula C7H4N2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 5-methylthiophene-2,3-dicarbonitrile.

Molecular Properties

Compound Name5-methylthiophene-2,3-dicarbonitrile
PubChem CID6423278
Molecular FormulaC7H4N2S
Molecular Weight148.19 g/mol
Exact Mass148.01
IUPAC Name5-methylthiophene-2,3-dicarbonitrile
SMILESCc1cc(C#N)c(C#N)s1
InChIInChI=1S/C7H4N2S/c1-5-2-6(3-8)7(4-9)10-5/h2H,1H3
InChIKeyMLHFFYGKSAWGOZ-UHFFFAOYSA-N
XLogP1.80
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylthiophene-2,3-dicarbonitrile?
The IUPAC name of 5-methylthiophene-2,3-dicarbonitrile (CID 6423278) is 5-methylthiophene-2,3-dicarbonitrile.
What is the SMILES notation for 5-methylthiophene-2,3-dicarbonitrile?
The canonical SMILES for 5-methylthiophene-2,3-dicarbonitrile is Cc1cc(C#N)c(C#N)s1.
What is the InChIKey of 5-methylthiophene-2,3-dicarbonitrile?
The InChIKey is MLHFFYGKSAWGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S/c1-5-2-6(3-8)7(4-9)10-5/h2H,1H3.
What are the key properties of 5-methylthiophene-2,3-dicarbonitrile?
5-methylthiophene-2,3-dicarbonitrile has a molecular weight of 148.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylthiophene-2,3-dicarbonitrile is sourced from PubChem (CID 6423278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).