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

• ChemBase ID: 219537
• Molecular Formular: C14H12O2S
• Molecular Mass: 244.30888
• Monoisotopic Mass: 244.05580062
• SMILES: c12c(oc(c1C)C)cc1c(c(cc(=S)o1)C)c2
• Canonical SMILES: S=c1cc(C)c2c(o1)cc1c(c2)c(c(o1)C)C
• InChI: InChI=1S/C14H12O2S/c1-7-4-14(17)16-12-6-13-11(5-10(7)12)8(2)9(3)15-13/h4-6H,1-3H3
• InChIKey: UFGCMUCJSZUKOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275447
• PubChem CID: 16409438

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.84473
• LogD (pH = 7.4): 3.84473
• Log P: 3.84473
• Molar Refractivity: 72.8535 cm^3
• Polarizability: 28.870005 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