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Home Other Building Blocks 5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
328556-62-3
Catalog Number:
AG019HE8
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
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Product Description
Catalog Number:
AG019HE8
Chemical Name:
5-(4-methoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
328556-62-3
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
MDL Number:
MFCD01407798
IUPAC Name:
3-(4-methoxyphenyl)-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C16H15N3OS/c1-11-3-7-13(8-4-11)19-15(17-18-16(19)21)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3,(H,18,21)
InChI Key:
XSCGKIDMJUFUJZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)S
Properties
Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties