1,3,4-Thiadiazole-2(3H)-thione, 5-[(3-methylphenyl)amino]-


Chemical Name: 1,3,4-Thiadiazole-2(3H)-thione, 5-[(3-methylphenyl)amino]-
CAS Number: 52494-32-3
Product Number: AG00E2IT(AGN-PC-0JV8XS)
Synonyms:
MDL No:
Molecular Formula: C9H9N3S2
Molecular Weight: 223.3179

Identification/Properties


Computed Properties
Molecular Weight:
223.312g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
223.024g/mol
Monoisotopic Mass:
223.024g/mol
Topological Polar Surface Area:
93.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
265
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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