3H-1,2,4-Triazole-3-thione, 4-(2-fluorophenyl)-2,4-dihydro-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 4-(2-fluorophenyl)-2,4-dihydro-
CAS Number: 52747-56-5
Product Number: AG00E2UD(AGN-PC-0L17QD)
Synonyms:
MDL No:
Molecular Formula: C8H6FN3S
Molecular Weight: 195.2167

Identification/Properties


Computed Properties
Molecular Weight:
195.215g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
195.027g/mol
Monoisotopic Mass:
195.027g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
244
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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