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R80806

R80806 structure

R80806 

structure
  • CAS No:

    136779-94-7

  • Formula:

    C14H19N3S

  • Chemical Name:

    R80806

  • Synonyms:

    Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione,4,5,6,7-tetrahydro-5-methyl-6-propyl; Imidazo(4,5,1-jk)(1,4)benzodiazepine-2(1H)-thione,4,5,6,7-tetrahydro-5-methyl-6-propyl-,(1);

R80806 Basic Attributes

261.38600

261.12996879

Characteristics

59.86000

2.87700

1.24g/cm3

377.1ºC

181.8ºC

1.669

6.93E-06mmHg at 25°C

Computed Properties

Molecular Weight:261.39
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:261.12996879
Monoisotopic Mass:261.12996879
Topological Polar Surface Area:50.6
Heavy Atom Count:18
Complexity:333
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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