2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile

C10H2N4S — CID 88853104

IUPAC2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile
SMILES[C-]#[N+]/C(C#N)=c1\ccc(=C(C#N)C#N)s1
InChIInChI=1S/C10H2N4S/c1-14-8(6-13)10-3-2-9(15-10)7(4-11)5-12/h2-3H/b10-8+
InChIKeyMHMOQVGOFFOTAF-CSKARUKUSA-N
MW210.22 g/mol
LogP0.50
Rot. Bonds

About 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile

2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile (PubChem CID 88853104) has the molecular formula C10H2N4S and a molecular weight of 210.22 g/mol. Its IUPAC name is 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile
PubChem CID88853104
Molecular FormulaC10H2N4S
Molecular Weight210.22 g/mol
Exact Mass210.00
IUPAC Name2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile
SMILES[C-]#[N+]/C(C#N)=c1\ccc(=C(C#N)C#N)s1
InChIInChI=1S/C10H2N4S/c1-14-8(6-13)10-3-2-9(15-10)7(4-11)5-12/h2-3H/b10-8+
InChIKeyMHMOQVGOFFOTAF-CSKARUKUSA-N
XLogP0.50
TPSA75.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile (CID 88853104) is 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile is [C-]#[N+]/C(C#N)=c1\ccc(=C(C#N)C#N)s1.
What is the InChIKey of 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile?
The InChIKey is MHMOQVGOFFOTAF-CSKARUKUSA-N. The full InChI is InChI=1S/C10H2N4S/c1-14-8(6-13)10-3-2-9(15-10)7(4-11)5-12/h2-3H/b10-8+.
What are the key properties of 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile?
2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile has a molecular weight of 210.22 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[cyano(isocyano)methylidene]thiophen-2-ylidene]propanedinitrile is sourced from PubChem (CID 88853104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).