3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-[(phenylmethyl)thio]-


Chemical Name: 3H-1,2,4-Triazole-3-thione,4-amino-2,4-dihydro-5-[(phenylmethyl)thio]-
CAS Number: 90535-72-1
Product Number: AG006COS(AGN-PC-0VQPQH)
Synonyms:
MDL No: MFCD06362482
Molecular Formula: C9H10N4S2
Molecular Weight: 238.3325

Identification/Properties


Computed Properties
Molecular Weight:
238.327g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
238.035g/mol
Monoisotopic Mass:
238.035g/mol
Topological Polar Surface Area:
111A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
273
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


Other Analytical Data


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