trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide

Base Information

• Chemical Name: trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide
• CAS No.: 132316-51-9
• Molecular Formula: C10H18N4O2S
• Molecular Weight: 258.3405
• DSSTox Substance ID: DTXSID50927632
• Nikkaji Number: J458.037K
• Wikidata: Q76279324
• Mol file: 132316-51-9.mol

Synonyms:trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide;2H,6H-1,5:3,7-Dimethano-4,1,3,5,7-benzothiatetrazonine, hexahydro-, 4,4-dioxide, trans-;132316-51-9;DTXSID50927632;LS-62007;Hexahydro-2H,4H,6H-1,5:3,7-dimethano-4lambda~6~-4lambda~6~,1,3,5,7-benzothiatetrazonine-4,4-dione

Chemical Property of trans-Hexahydro-2H,6H-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide

Chemical Property:

• Vapor Pressure: 3.51E-07mmHg at 25°C
• Boiling Point: 417.6°Cat760mmHg
• Flash Point: 206.3°C
• Density: 1.55g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 258.11504700
• Heavy Atom Count: 17
• Complexity: 388

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)N3CN4CN2CN(C3)S4(=O)=O
• Isomeric SMILES: C1CC[C@@H]2[C@@H](C1)N3CN4CN2CN(C3)S4(=O)=O