2,3,5,6,9-pentamethyl-7H-furo[3,2-g]chromene-7-thione

• ChemBase ID: 219326
• Molecular Formular: C16H16O2S
• Molecular Mass: 272.36204
• Monoisotopic Mass: 272.08710075
• SMILES: c12c(c(c(c(=S)o1)C)C)cc1c(oc(c1C)C)c2C
• Canonical SMILES: Cc1c(=S)oc2c(c1C)cc1c(c2C)oc(c1C)C
• InChI: InChI=1S/C16H16O2S/c1-7-8(2)16(19)18-15-10(4)14-13(6-12(7)15)9(3)11(5)17-14/h6H,1-5H3
• InChIKey: LRGFBOHKSNBRPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5,6,9-pentamethyl-7H-furo[3,2-g]chromene-7-thione
• IUPAC Traditional name: 2,3,5,6,9-pentamethylfuro[3,2-g]chromene-7-thione

Database IDs

• PubChem SID: 164275236
• PubChem CID: 16409234

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7537017
• LogD (pH = 7.4): 4.7537017
• Log P: 4.7537017
• Molar Refractivity: 82.2518 cm^3
• Polarizability: 32.484787 Å^3
• Polar Surface Area: 22.37 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds