1H-1,2,4-Triazole, 3-[[(4-methoxyphenyl)methyl]thio]-


Chemical Name: 1H-1,2,4-Triazole, 3-[[(4-methoxyphenyl)methyl]thio]-
CAS Number: 17357-75-4
Product Number: AG001Z1L(AGN-PC-0O4WPO)
Synonyms:
MDL No:
Molecular Formula: C10H11N3OS
Molecular Weight: 221.2788

Identification/Properties


Properties
MP:
85-87℃
BP:
428.9°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
221.278g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
221.062g/mol
Monoisotopic Mass:
221.062g/mol
Topological Polar Surface Area:
76.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
186
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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