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Home > Pyridines > 438030-02-5
438030-02-5 | 4-(4-ethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 438030-02-5 Catalog No: AG019HEH MDL No:MFCD03478326
Product Description
Catalog Number:
AG019HEH
Chemical Name:
4-(4-ethylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
438030-02-5
Molecular Formula:
C15H14N4S
Molecular Weight:
282.3635
MDL Number:
MFCD03478326
IUPAC Name:
4-(4-ethylphenyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H14N4S/c1-2-11-3-5-13(6-4-11)19-14(17-18-15(19)20)12-7-9-16-10-8-12/h3-10H,2H2,1H3,(H,18,20)
InChI Key:
ZUEOPPKCLNDYAC-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)n1c(S)nnc1c1ccncc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.365g/mol
Monoisotopic Mass:
282.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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