1λ4,3λ4,5λ4,7λ4-tetrathia-2,4,6,8-tetraazatricyclo[3.3.0.03,7]octa-1,3,5,7-tetraene

• ChemBase ID: 129813
• Molecular Formular: N4S4
• Molecular Mass: 184.2868
• Monoisotopic Mass: 183.90058002
• SMILES: N1=S2N=S3N=S2N=S13
• Canonical SMILES: N1=S2N=S3S1=NS2=N3
• InChI: InChI=1S/N4S4/c1-5-2-7-4-8(5)3-6(1)7
• InChIKey: JXZQSUPZGRBFJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1λ^4,3λ^4,5λ^4,7λ^4-tetrathia-2,4,6,8-tetraazatricyclo[3.3.0.0^3,^7]octa-1,3,5,7-tetraene
• IUPAC Traditional name: 1λ^4,3λ^4,5λ^4,7λ^4-tetrathia-2,4,6,8-tetraazatricyclo[3.3.0.0^3,^7]octa-1,3,5,7-tetraene
• Synonyms: Cyclic sulfur(III) nitride tetramer; 1λ^4,3,5λ^4,7,2,4,6,8-Tetrathiatetrazocine; 1,3,5,7-tetrathia-2,4,6,8-tetraazacyclooctan-2,4,6,8-tetrayl; Tetrasulfur tetranitride

Database IDs

• CAS Number: 28950-34-7
• PubChem SID: 162224100
• PubChem CID: 14959242; 141455
• Chemspider ID: 124788
• Wikipedia Title: Tetrasulfur_tetranitride

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5190585
• LogD (pH = 7.4): 0.519318
• Log P: 0.5193213
• Molar Refractivity: 41.88 cm^3
• Polarizability: 15.775057 Å^3
• Polar Surface Area: 49.44 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Vivid orange, opaque crystals
• Melting Point: 187°C