2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile

C12H2N4S2 — CID 163864275

IUPAC2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1scc2c(=C(C#N)C#N)scc12
InChIInChI=1S/C12H2N4S2/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6H
InChIKeyPFGUOBIKSDFWKI-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.36
Rot. Bonds

About 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile

2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile (PubChem CID 163864275) has the molecular formula C12H2N4S2 and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile
PubChem CID163864275
Molecular FormulaC12H2N4S2
Molecular Weight266.31 g/mol
Exact Mass265.97
IUPAC Name2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1scc2c(=C(C#N)C#N)scc12
InChIInChI=1S/C12H2N4S2/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6H
InChIKeyPFGUOBIKSDFWKI-UHFFFAOYSA-N
XLogP1.36
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile?
The IUPAC name of 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile (CID 163864275) is 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile.
What is the SMILES notation for 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile?
The canonical SMILES for 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile is N#CC(C#N)=c1scc2c(=C(C#N)C#N)scc12.
What is the InChIKey of 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile?
The InChIKey is PFGUOBIKSDFWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2N4S2/c13-1-7(2-14)11-9-5-18-12(8(3-15)4-16)10(9)6-17-11/h5-6H.
What are the key properties of 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile?
2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile has a molecular weight of 266.31 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dicyanomethylidene)thieno[3,4-c]thiophen-6-ylidene]propanedinitrile is sourced from PubChem (CID 163864275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).