tricyclo[3.3.1.1^{3,7}]tetrastibathiane

• ChemBase ID: 110183
• Molecular Formular: S6Sb4
• Molecular Mass: 679.43
• Monoisotopic Mass: 675.447686
• SMILES: S1[Sb]2S[Sb]3S[Sb]1S[Sb](S2)S3
• Canonical SMILES: S1[Sb]2S[Sb]3S[Sb]1S[Sb](S2)S3
• InChI: InChI=1S/6S.4Sb
• InChIKey: KUQZHUGCMMLIPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[3.3.1.1^{3,7}]tetrastibathiane
• IUPAC Traditional name: tricyclo[3.3.1.1^{3,7}]tetrastibathiane
• Synonyms: ANTIMONY TRISULFIDE

Database IDs

• CAS Number: 1345-04-6
• PubChem SID: 162095579
• PubChem CID: 16689752

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7094
• LogD (pH = 7.4): 3.7094
• Log P: 3.7094
• Molar Refractivity: 34.5348 cm^3
• Polarizability: 39.395447 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: CC9450000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• Risk Statements: R:20/22-51/53
• Safety Statements: S:61

DETAILS

MP Biomedicals - 05214052

MP Biomedicals Rare Chemical collection