2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile

C17H6N4S2 — CID 123284396

IUPAC2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile
SMILESCc1cc2c(=C(C#N)C#N)c3sccc3c(=C(C#N)C#N)c2s1
InChIInChI=1S/C17H6N4S2/c1-9-4-13-15(11(7-20)8-21)16-12(2-3-22-16)14(17(13)23-9)10(5-18)6-19/h2-4H,1H3
InChIKeyDFXRDNSPTWHMFL-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.82
Rot. Bonds

About 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile

2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile (PubChem CID 123284396) has the molecular formula C17H6N4S2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile
PubChem CID123284396
Molecular FormulaC17H6N4S2
Molecular Weight330.40 g/mol
Exact Mass330.00
IUPAC Name2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile
SMILESCc1cc2c(=C(C#N)C#N)c3sccc3c(=C(C#N)C#N)c2s1
InChIInChI=1S/C17H6N4S2/c1-9-4-13-15(11(7-20)8-21)16-12(2-3-22-16)14(17(13)23-9)10(5-18)6-19/h2-4H,1H3
InChIKeyDFXRDNSPTWHMFL-UHFFFAOYSA-N
XLogP2.82
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile?
The IUPAC name of 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile (CID 123284396) is 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile is Cc1cc2c(=C(C#N)C#N)c3sccc3c(=C(C#N)C#N)c2s1.
What is the InChIKey of 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile?
The InChIKey is DFXRDNSPTWHMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H6N4S2/c1-9-4-13-15(11(7-20)8-21)16-12(2-3-22-16)14(17(13)23-9)10(5-18)6-19/h2-4H,1H3.
What are the key properties of 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile?
2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile has a molecular weight of 330.40 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyanomethylidene)-2-methylthieno[2,3-f][1]benzothiol-8-ylidene]propanedinitrile is sourced from PubChem (CID 123284396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).