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

• ChemBase ID: 219486
• Molecular Formular: C14H12O2S
• Molecular Mass: 244.30888
• Monoisotopic Mass: 244.05580062
• SMILES: c12c(c(cc(=S)o2)C)cc2c(c1C)occ2C
• Canonical SMILES: S=c1cc(C)c2c(o1)c(C)c1c(c2)c(co1)C
• InChI: InChI=1S/C14H12O2S/c1-7-4-12(17)16-14-9(3)13-11(5-10(7)14)8(2)6-15-13/h4-6H,1-3H3
• InChIKey: PIICEAPSPNHOQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5,9-trimethyl-7H-furo[3,2-g]chromene-7-thione
• IUPAC Traditional name: 3,5,9-trimethylfuro[3,2-g]chromene-7-thione

Database IDs

• PubChem SID: 164275396
• PubChem CID: 16409390

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.15859
• LogD (pH = 7.4): 4.15859
• Log P: 4.15859
• Molar Refractivity: 72.745 cm^3
• Polarizability: 28.87275 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