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WC-9

CAT: 0931-T23767-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23767-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
205381-53-9
Target
Others, Parasite
Related Pathways
Microbiology/Virology, Others
Bioactivity
WC-9 is a squalene synthase inhibitor. It acts by binding to TcSQS and HsSQS.
Smiles
O(C1=CC=C(OCCSC#N)C=C1)C2=CC=CC=C2
Molecular Formula
C15H13NO2S
Molecular Weight
271.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Phenoxyphenoxyethyl thiocyanate

has antiparasitic activity; structure in first source

CAS Number205381-53-9
PubChem CID10265208
IUPAC Name2-(4-phenoxyphenoxy)ethyl thiocyanate
Molecular FormulaC15H13NO2S
Molecular Weight271.3
XLogP4.1
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity288
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCSC#N
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
InChIKey
YQZHGQYIMXWEHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenoxyphenoxyethyl thiocyanate
CAS: 205381-53-9
CID: 10265208
Formula: C15H13NO2S
MW: 271.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight271.3
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass271.06669983
Monoisotopic Mass271.06669983
Topological Polar Surface Area67.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity288
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes