1,2,3,5,6-pentathiepane

• ChemBase ID: 128035
• Molecular Formular: C2H4S5
• Molecular Mass: 188.37816
• Monoisotopic Mass: 187.89165513
• SMILES: C1SSCSSS1
• Canonical SMILES: S1CSSCSS1
• InChI: InChI=1S/C2H4S5/c1-3-4-2-6-7-5-1/h1-2H2
• InChIKey: DZKOKXZNCDGVRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,5,6-pentathiepane
• IUPAC Traditional name: lenthionine
• Synonyms: 1,2,3,5,6-Pentathiacycloheptane; Lenthionine; 1,2,3,5,6-Pentathiepane

Database IDs

• CAS Number: 292-46-6
• MDL Number: MFCD03840531
• PubChem SID: 162222351
• PubChem CID: 67521
• Wikipedia Title: Lenthionine

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2012453
• LogD (pH = 7.4): 2.2012453
• Log P: 2.2012453
• Molar Refractivity: 46.1032 cm^3
• Polarizability: 19.15102 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%