4-ALLYL-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOLE-3-THIOL


Chemical Name: 4-ALLYL-5-CYCLOHEXYL-4H-[1,2,4]TRIAZOLE-3-THIOL
CAS Number: 590376-61-7
Product Number: AG00EC58(AGN-PC-0OCTX6)
Synonyms:
MDL No:
Molecular Formula: C11H17N3S
Molecular Weight: 223.3378

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
223.338g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
223.114g/mol
Monoisotopic Mass:
223.114g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
292
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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