3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(2-thienylmethyl)-


Chemical Name: 3H-1,2,4-Triazole-3-thione, 4-ethyl-2,4-dihydro-5-(2-thienylmethyl)-
CAS Number: 667435-85-0
Product Number: AG00FD10(AGN-PC-0L1802)
Synonyms:
MDL No:
Molecular Formula: C9H11N3S2
Molecular Weight: 225.3337

Identification/Properties


Computed Properties
Molecular Weight:
225.328g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
225.039g/mol
Monoisotopic Mass:
225.039g/mol
Topological Polar Surface Area:
88A^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

Safety Information


NMR Spectrum


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