5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol


Chemical Name: 5-(4-Butyl-phenylamino)-[1,3,4]thiadiazole-2-thiol
CAS Number: 750613-93-5
Product Number: AG00ICLM(AGN-PC-0WAI96)
Synonyms:
MDL No:
Molecular Formula: C12H15N3S2
Molecular Weight: 265.3976

Identification/Properties


Computed Properties
Molecular Weight:
265.393g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
265.071g/mol
Monoisotopic Mass:
265.071g/mol
Topological Polar Surface Area:
93.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
296
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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