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205381-53-9 | Thiocyanic acid, 2-(4-phenoxyphenoxy)ethyl ester
CAS No: 205381-53-9 Catalog No: AG002A1T MDL No:
Product Description
Catalog Number:
AG002A1T
Chemical Name:
Thiocyanic acid, 2-(4-phenoxyphenoxy)ethyl ester
CAS Number:
205381-53-9
Molecular Formula:
C15H13NO2S
Molecular Weight:
271.3342
IUPAC Name:
2-(4-phenoxyphenoxy)ethyl thiocyanate
InChI:
InChI=1S/C15H13NO2S/c16-12-19-11-10-17-13-6-8-15(9-7-13)18-14-4-2-1-3-5-14/h1-9H,10-11H2
InChI Key:
YQZHGQYIMXWEHI-UHFFFAOYSA-N
SMILES:
N#CSCCOc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.334g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of WC-9 analogs as antiparasitic agents. | European journal of medicinal chemistry 20131101 |
| Head-to-head prenyl tranferases: anti-infective drug targets. | Journal of medicinal chemistry 20120510 |
| Fluorine-containing aryloxyethyl thiocyanate derivatives are potent inhibitors of Trypanosoma cruzi and Toxoplasma gondii proliferation. | Bioorganic & medicinal chemistry letters 20070915 |
| Design, synthesis, and biological evaluation of phosphinopeptides against Trypanosoma cruzi targeting trypanothione biosynthesis. | Journal of medicinal chemistry 20060112 |
| Design, synthesis, and biological evaluation of aryloxyethyl thiocyanate derivatives against Trypanosoma cruzi. | Journal of medicinal chemistry 20020829 |
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