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


Chemical Name: 3H-1,2,4-Triazole-3-thione, 5-(1,1-dimethylethyl)-1,2-dihydro-
CAS Number: 38449-51-3
Product Number: AG0079T6(AGN-PC-0KKCHP)
Synonyms:
MDL No:
Molecular Formula: C6H11N3S
Molecular Weight: 157.2366

Identification/Properties


Computed Properties
Molecular Weight:
157.235g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
157.067g/mol
Monoisotopic Mass:
157.067g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
190
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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