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AC 43913

CAT: 0013-GTR19198325-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198325-02Size:50 mg
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Description
AC 43913 is a small molecule insecticide used in agricultural and entomological research. It serves as a tool compound for studying insecticidal mechanisms and can be applied in both in vitro enzyme assays and in vivo pest control experiments.
CAS Number
1174-83-0
Smiles
O=S (=O) (C1=CC=C (OP (=S) (OC) OC) C=C1) C2=CC=C (OP (=S) (OC) OC) C=C2
Molecular Formula
C16H20O8P2S3
Molecular Weight
498.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AC-43913
CAS Number1174-83-0
PubChem CID70897
IUPAC Name[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfonylphenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Molecular FormulaC16H20O8P2S3
Molecular Weight498.5
XLogP4.7
Topological Polar Surface Area162
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity640
SMILES
COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OP(=S)(OC)OC
InChI
InChI=1S/C16H20O8P2S3/c1-19-25(27,20-2)23-13-5-9-15(10-6-13)29(17,18)16-11-7-14(8-12-16)24-26(28,21-3)22-4/h5-12H,1-4H3
InChIKey
ZFHDDQUVNSDLLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AC-43913
CAS: 1174-83-0
CID: 70897
Formula: C16H20O8P2S3
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass497.97955511
Monoisotopic Mass497.97955511
Topological Polar Surface Area162 Ų
Heavy Atom Count29
Formal Charge0
Complexity640
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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CatalogName
T26533-01AC 43913

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