3-methylthiophene-2,4-dicarbonitrile

C7H4N2S — CID 15203627

IUPAC3-methylthiophene-2,4-dicarbonitrile
SMILESCc1c(C#N)csc1C#N
InChIInChI=1S/C7H4N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,1H3
InChIKeyKRORPKUMLVYTBL-UHFFFAOYSA-N
MW148.19 g/mol
LogP1.80
Rot. Bonds

About 3-methylthiophene-2,4-dicarbonitrile

3-methylthiophene-2,4-dicarbonitrile (PubChem CID 15203627) has the molecular formula C7H4N2S and a molecular weight of 148.19 g/mol. Its IUPAC name is 3-methylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name3-methylthiophene-2,4-dicarbonitrile
PubChem CID15203627
Molecular FormulaC7H4N2S
Molecular Weight148.19 g/mol
Exact Mass148.01
IUPAC Name3-methylthiophene-2,4-dicarbonitrile
SMILESCc1c(C#N)csc1C#N
InChIInChI=1S/C7H4N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,1H3
InChIKeyKRORPKUMLVYTBL-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 3-methylthiophene-2,4-dicarbonitrile?
The IUPAC name of 3-methylthiophene-2,4-dicarbonitrile (CID 15203627) is 3-methylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 3-methylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 3-methylthiophene-2,4-dicarbonitrile is Cc1c(C#N)csc1C#N.
What is the InChIKey of 3-methylthiophene-2,4-dicarbonitrile?
The InChIKey is KRORPKUMLVYTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2S/c1-5-6(2-8)4-10-7(5)3-9/h4H,1H3.
What are the key properties of 3-methylthiophene-2,4-dicarbonitrile?
3-methylthiophene-2,4-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 3-methylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 15203627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).