2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile

C10H3BrN2S2 — CID 88875944

IUPAC2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1cc2sc(Br)cc2s1
InChIInChI=1S/C10H3BrN2S2/c11-10-3-9-8(15-10)2-7(14-9)1-6(4-12)5-13/h1-3H
InChIKeyVFPFBOKLFAHPIE-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.16
Rot. Bonds1

About 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile

2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile (PubChem CID 88875944) has the molecular formula C10H3BrN2S2 and a molecular weight of 295.19 g/mol. Its IUPAC name is 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile
PubChem CID88875944
Molecular FormulaC10H3BrN2S2
Molecular Weight295.19 g/mol
Exact Mass293.89
IUPAC Name2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1cc2sc(Br)cc2s1
InChIInChI=1S/C10H3BrN2S2/c11-10-3-9-8(15-10)2-7(14-9)1-6(4-12)5-13/h1-3H
InChIKeyVFPFBOKLFAHPIE-UHFFFAOYSA-N
XLogP4.16
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile?
The IUPAC name of 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile (CID 88875944) is 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile.
What is the SMILES notation for 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile?
The canonical SMILES for 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile is N#CC(C#N)=Cc1cc2sc(Br)cc2s1.
What is the InChIKey of 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile?
The InChIKey is VFPFBOKLFAHPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3BrN2S2/c11-10-3-9-8(15-10)2-7(14-9)1-6(4-12)5-13/h1-3H.
What are the key properties of 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile?
2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile has a molecular weight of 295.19 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothieno[3,2-b]thiophen-2-yl)methylidene]propanedinitrile is sourced from PubChem (CID 88875944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).