(E)-dithiophen-2-yldiazene

C8H6N2S2 — CID 22616869

IUPAC(E)-dithiophen-2-yldiazene
SMILESc1csc(/N=N/c2cccs2)c1
InChIInChI=1S/C8H6N2S2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H/b10-9+
InChIKeyAQYFGWINIJJWBQ-MDZDMXLPSA-N
MW194.28 g/mol
LogP4.22
Rot. Bonds2

About (E)-dithiophen-2-yldiazene

(E)-dithiophen-2-yldiazene (PubChem CID 22616869) has the molecular formula C8H6N2S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is (E)-dithiophen-2-yldiazene.

Molecular Properties

Compound Name(E)-dithiophen-2-yldiazene
PubChem CID22616869
Molecular FormulaC8H6N2S2
Molecular Weight194.28 g/mol
Exact Mass194.00
IUPAC Name(E)-dithiophen-2-yldiazene
SMILESc1csc(/N=N/c2cccs2)c1
InChIInChI=1S/C8H6N2S2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H/b10-9+
InChIKeyAQYFGWINIJJWBQ-MDZDMXLPSA-N
XLogP4.22
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze (E)-dithiophen-2-yldiazene 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 (E)-dithiophen-2-yldiazene?
The IUPAC name of (E)-dithiophen-2-yldiazene (CID 22616869) is (E)-dithiophen-2-yldiazene.
What is the SMILES notation for (E)-dithiophen-2-yldiazene?
The canonical SMILES for (E)-dithiophen-2-yldiazene is c1csc(/N=N/c2cccs2)c1.
What is the InChIKey of (E)-dithiophen-2-yldiazene?
The InChIKey is AQYFGWINIJJWBQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H6N2S2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H/b10-9+.
What are the key properties of (E)-dithiophen-2-yldiazene?
(E)-dithiophen-2-yldiazene has a molecular weight of 194.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dithiophen-2-yldiazene is sourced from PubChem (CID 22616869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).