7-Benzyl-1,4-dithia-7-azaspiro[4.4]nonane

Base Information

• Chemical Name: 7-Benzyl-1,4-dithia-7-azaspiro[4.4]nonane
• CAS No.: 864685-24-5
• Molecular Formula: C13H17 N S2
• Molecular Weight: 251.41078
• DSSTox Substance ID: DTXSID80592337
• Wikidata: Q82486399
• Mol file: 864685-24-5.mol

Synonyms:864685-24-5;7-benzyl-1,4-dithia-7-azaspiro[4.4]nonane;7-BENZYL-1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE;DTXSID80592337;DB-318243

Chemical Property of 7-Benzyl-1,4-dithia-7-azaspiro[4.4]nonane

Chemical Property:

• Boiling Point: 378.1±42.0 °C(Predicted)
• PKA: 7.91±0.20(Predicted)
• PSA: 53.84000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 3.00650
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 251.08024189
• Heavy Atom Count: 16
• Complexity: 232

Purity/Quality:

97% ^*data from raw suppliers

7-BENZYL-1,4-DITHIA-7-AZA-SPIRO[4.4]NONANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CC12SCCS2)CC3=CC=CC=C3