Home Aminos [2-(4-Methoxybenzylidene)hydrazono](amino)methanethiol

[2-(4-Methoxybenzylidene)hydrazono](amino)methanethiol

CAS No.:
4334-74-1
Catalog Number:
AG00DZKE
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$163
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Product Description
Catalog Number:
AG00DZKE
Chemical Name:
[2-(4-Methoxybenzylidene)hydrazono](amino)methanethiol
CAS Number:
4334-74-1
MDL Number:
MFCD00456392
IUPAC Name:
[(E)-(4-methoxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C9H11N3OS/c1-13-8-4-2-7(3-5-8)6-11-12-9(10)14/h2-6H,1H3,(H3,10,12,14)/b11-6+
InChI Key:
TUNWURMRBJWUFJ-IZZDOVSWSA-N
NSC Number:
712
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Structural characteristics of thiosemicarbazones as inhibitors of melanogenesis. Bioorganic & medicinal chemistry letters 20101115
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and antimalarial activity of semicarbazone and thiosemicarbazone derivatives. European journal of medicinal chemistry 20080901
3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry 20070301
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