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(1S,2S,1'S)-Cypermethrin

CAT: 0572-TRC-C989028-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C989028-100MGSize:100 mg
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CAS Number
72204-43-4
Synonyms
(1S,2S,1'S)-Cypermethrin
Hazard Statement
No Data Available
Smiles
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2
Molecular Formula
C22 H19 Cl2 N O3
Molecular Weight
416.297
InChI
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20-/m1/s1
Additionnal Information
IUPAC name: [(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Shipping Conditions
Room Temperature

Chemical Information

(1S)-cis-(alphaS)-cypermethrin

(1S)-cis-(alphaS)-cypermethrin is a cyclopropanecarboxylate ester.

CAS Number72204-43-4
PubChem CID189554
IUPAC Nametrans-[(S)-cyano-(3-phenoxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC22H19Cl2NO3
Molecular Weight416.3
XLogP6
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity643
SMILES
CC1([C@@H]([C@@H]1C(=O)O[C@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18-,20-/m1/s1
InChIKey
KAATUXNTWXVJKI-QWFCFKBJSA-N
Chemical Structure
2D Structure
2D structure of (1S)-cis-(alphaS)-cypermethrin
CAS: 72204-43-4
CID: 189554
Formula: C22H19Cl2NO3
MW: 416.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.3
XLogP36
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass415.0741989
Monoisotopic Mass415.0741989
Topological Polar Surface Area59.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity643
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
412704-01(1S,2S,1'S) -Cypermethrin
412703-01(1S,2S,1'R) -Cypermethrin
AR-C08778-01(1S,2R,1'S) -Cypermethrin
412786-01(1S, αS) -trans-Cypermethrin
412510-01(1R,2S,1'S) -Cypermethrin
CS-T-74056(1S, aS) -trans-Cypermethrin
412672-01(1S,2R,1'R) -Cypermethrin
412509-01(1R,2S,1'R) -Cypermethrin
412461-01(1R,2R,1'S) -Cypermethrin
sc-338525(S) - (+) -Camphorsulphonyl- (1S,2S) diphenyl ethane diamine

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