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


Chemical Name: 3H-1,2,4-Triazole-3-thione, 4-(3-chlorophenyl)-2,4-dihydro-
CAS Number: 66297-55-0
Product Number: AG006NOB(AGN-PC-0LL5ML)
Synonyms:
MDL No:
Molecular Formula: C8H6ClN3S
Molecular Weight: 211.6713

Identification/Properties


Computed Properties
Molecular Weight:
211.667g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
210.997g/mol
Monoisotopic Mass:
210.997g/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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