5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile

C11H6N2OS3 — CID 150365380

IUPAC5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
SMILESCS(=O)c1sc(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C11H6N2OS3/c1-17(14)11-7(5-12)10(9(6-13)16-11)8-3-2-4-15-8/h2-4H,1H3
InChIKeyGWPAQYHJNQNQEB-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.96
Rot. Bonds2

About 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile

5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile (PubChem CID 150365380) has the molecular formula C11H6N2OS3 and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile.

Molecular Properties

Compound Name5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
PubChem CID150365380
Molecular FormulaC11H6N2OS3
Molecular Weight278.38 g/mol
Exact Mass277.96
IUPAC Name5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile
SMILESCS(=O)c1sc(C#N)c(-c2cccs2)c1C#N
InChIInChI=1S/C11H6N2OS3/c1-17(14)11-7(5-12)10(9(6-13)16-11)8-3-2-4-15-8/h2-4H,1H3
InChIKeyGWPAQYHJNQNQEB-UHFFFAOYSA-N
XLogP2.96
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile?
The IUPAC name of 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile (CID 150365380) is 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile.
What is the SMILES notation for 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile?
The canonical SMILES for 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile is CS(=O)c1sc(C#N)c(-c2cccs2)c1C#N.
What is the InChIKey of 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile?
The InChIKey is GWPAQYHJNQNQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2OS3/c1-17(14)11-7(5-12)10(9(6-13)16-11)8-3-2-4-15-8/h2-4H,1H3.
What are the key properties of 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile?
5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile has a molecular weight of 278.38 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinyl-3-thiophen-2-ylthiophene-2,4-dicarbonitrile is sourced from PubChem (CID 150365380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).