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70618-67-6

70618-67-6 | METHYL2-PYRIDYLKETONE4-ALLYL-3-THIOSEMICARBAZONE

CAS No: 70618-67-6 Catalog No: AG00FUAH MDL No:

Product Description

Catalog Number:
AG00FUAH
Chemical Name:
METHYL2-PYRIDYLKETONE4-ALLYL-3-THIOSEMICARBAZONE
CAS Number:
70618-67-6
IUPAC Name:
1-prop-2-enyl-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea
InChI:
InChI=1S/C11H14N4S/c1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10/h3-6,8H,1,7H2,2H3,(H2,13,15,16)/b14-9+
InChI Key:
FDKSOUXJZSXTHD-NTEUORMPSA-N
NSC Number:
318804

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
234.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.321g/mol
Monoisotopic Mass:
234.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Literature

Title Journal
Role of metalation in the topoisomerase IIα inhibition and antiproliferation activity of a series of α-heterocyclic-N4-substituted thiosemicarbazones and their Cu(II) complexes. Journal of medicinal chemistry 20110414
2-Acetylpyridine thiosemicarbazones are potent iron chelators and antiproliferative agents: redox activity, iron complexation and characterization of their antitumor activity. Journal of medicinal chemistry 20090312
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
Thiosemicarbazones of 2-acetylpyridine, 2-acetylquinoline, 1-acetylisoquinoline, and related compounds as inhibitors of herpes simplex virus in vitro and in a cutaneous herpes guinea pig model. Antiviral research 19860701

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