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Home> Encyclopedia > Hot Product Listed 5   > 5b,9a-(Methanoxymethano)biphenyleno[1,2-c]furan-1,12(3H)-dione,3,10-dibutylidene-4,5,5a,8,9,9b-hexah...
15182-67-9 structure

5b,9a-(Methanoxymethano)biphenyleno[1,2-c]furan-1,12(3H)-dione,3,10-dibutylidene-4,5,5a,8,9,9b-hexahydro- (9CI)

Iupac Name:1-(2-methoxyphenyl)-2H-tetrazole-5-thione
CAS No.:15182-67-9
Molecular Weight:208.24032
Molecular Formula:C18H17NO3 (isomer)
Names and Identifiers
Synonyms

TokinolideA

Inchi
InChI=1/C8H8N4OS/c1-13-7-5-3-2-4-6(7)12-8(14)9-10-11-12/h2-5H,1H3,(H,9,11,14)
Canonical Smiles
COC1=CC=CC=C1N2C(=S)N=NN2
Properties
Density
1.45
Boiling Point
553.9°Cat760mmHg
Vapour
0.00228mmHg at 25°C
Refractive Index
1.707
Flash Point
248.1°C
HS Code
2933990090
Computational chemical data
  • Molecular Weight:208.24032g/mol
  • Molecular Formula:C18H17NO3
  • Exact Mass:208.041882
  • Monoisotopic Mass:208.041882
  • Complexity:258
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:81.3
  • Heavy Atom Count:14
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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