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Cyprocide-B

CAT: 0931-T89148-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T89148-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
49809-25-8
Bioactivity
Cyprocide-B is activated by Cytochrome P450, which converts it into an electrophilic metabolite that selectively kills the nematode C. elegans. This compound holds promise for research into selective nematicidal agents.
Smiles
ClC=1C=CC(=CC1)C2=NN=C(O2)SCC
Molecular Formula
C10H9ClN2OS
Molecular Weight
240.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-Chlorophenyl)-5-(ethylsulfanyl)-1,3,4-oxadiazole
CAS Number49809-25-8
PubChem CID967654
IUPAC Name2-(4-chlorophenyl)-5-ethylsulfanyl-1,3,4-oxadiazole
Molecular FormulaC10H9ClN2OS
Molecular Weight240.71
XLogP3.3
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity200
SMILES
CCSC1=NN=C(O1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2OS/c1-2-15-10-13-12-9(14-10)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3
InChIKey
KNIWWUIMKUEOIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Chlorophenyl)-5-(ethylsulfanyl)-1,3,4-oxadiazole
CAS: 49809-25-8
CID: 967654
Formula: C10H9ClN2OS
MW: 240.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.71
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass240.0124118
Monoisotopic Mass240.0124118
Topological Polar Surface Area64.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity200
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

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