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Home Aminos 5-[4-(diethylamino)phenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

5-[4-(diethylamino)phenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:
851207-79-9
Catalog Number:
AG00IDJQ
Molecular Formula:
C19H22N4S
Molecular Weight:
338.4698
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Product Description
Catalog Number:
AG00IDJQ
Chemical Name:
5-[4-(diethylamino)phenyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
851207-79-9
Molecular Formula:
C19H22N4S
Molecular Weight:
338.4698
MDL Number:
MFCD26143615
IUPAC Name:
3-[4-(diethylamino)phenyl]-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C19H22N4S/c1-4-22(5-2)16-12-10-15(11-13-16)18-20-21-19(24)23(18)17-9-7-6-8-14(17)3/h6-13H,4-5H2,1-3H3,(H,21,24)
InChI Key:
XAJRGLUHUADUFU-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)c1nnc(n1c1ccccc1C)S)CC
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.157g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
338.473g/mol
Monoisotopic Mass:
338.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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