Home Other Building Blocks N-(4-(Benzyloxy)phenyl)hydrazinecarbothioamide

N-(4-(Benzyloxy)phenyl)hydrazinecarbothioamide

CAS No.:
206559-37-7
Catalog Number:
AG002IKI
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$99
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Product Description
Catalog Number:
AG002IKI
Chemical Name:
N-(4-(Benzyloxy)phenyl)hydrazinecarbothioamide
CAS Number:
206559-37-7
Molecular Formula:
C14H15N3OS
Molecular Weight:
273.3534
MDL Number:
MFCD00041300
IUPAC Name:
1-amino-3-(4-phenylmethoxyphenyl)thiourea
InChI:
InChI=1S/C14H15N3OS/c15-17-14(19)16-12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10,15H2,(H2,16,17,19)
InChI Key:
SSEUFZMKDSZKBU-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
273.354g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach. Journal of medicinal chemistry 20040812
Docking and database screening reveal new classes of Plasmodium falciparum dihydrofolate reductase inhibitors. Journal of medicinal chemistry 20030703
Properties