2,10-Dithia-16-azatricyclo[9.3.1.1~4,8~]hexadeca-1(15),4(16),5,7,11,13-hexaene

Base Information

• Chemical Name: 2,10-Dithia-16-azatricyclo[9.3.1.1~4,8~]hexadeca-1(15),4(16),5,7,11,13-hexaene
• CAS No.: 20044-82-0
• Molecular Formula: C13H11 N S2
• Molecular Weight: 245.36
• DSSTox Substance ID: DTXSID00702971
• Wikidata: Q82635014
• Mol file: 20044-82-0.mol

Synonyms:20044-82-0;DTXSID00702971;2,10-Dithia-16-azatricyclo[9.3.1.1~4,8~]hexadeca-1(15),4(16),5,7,11,13-hexaene

Chemical Property of 2,10-Dithia-16-azatricyclo[9.3.1.1~4,8~]hexadeca-1(15),4(16),5,7,11,13-hexaene

Chemical Property:

• PSA: 63.49000
• LogP: 3.97960
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 245.03329170
• Heavy Atom Count: 16
• Complexity: 214

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=NC(=CC=C2)CSC3=CC=CC(=C3)S1