3-methyl-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione


Chemical Name: 3-methyl-9-phenyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,3,6-triene-5-thione
CAS Number: 5399-43-9
Product Number: AG00DIHY(AGN-PC-0JVGEX)
Synonyms:
MDL No:
Molecular Formula: C12H10N4S
Molecular Weight: 242.2996

Identification/Properties


Computed Properties
Molecular Weight:
242.3g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
242.063g/mol
Monoisotopic Mass:
242.063g/mol
Topological Polar Surface Area:
74.3A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
348
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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