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

• ChemBase ID: 219202
• Molecular Formular: C13H10O2S
• Molecular Mass: 230.2823
• Monoisotopic Mass: 230.04015056
• SMILES: c12c(c(cc(=S)o1)C)cc1c(c2)occ1C
• Canonical SMILES: S=c1cc(C)c2c(o1)cc1c(c2)c(co1)C
• InChI: InChI=1S/C13H10O2S/c1-7-3-13(16)15-12-5-11-10(4-9(7)12)8(2)6-14-11/h3-6H,1-2H3
• InChIKey: LDYJVHBJSSVERM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethyl-7H-furo[3,2-g]chromene-7-thione
• IUPAC Traditional name: 3,5-dimethylfuro[3,2-g]chromene-7-thione

Database IDs

• PubChem SID: 164275112
• PubChem CID: 16409117

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6451685
• LogD (pH = 7.4): 3.6451685
• Log P: 3.6451685
• Molar Refractivity: 67.7038 cm^3
• Polarizability: 27.105131 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