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Dioxabenzofos

CAT: 0931-T20826-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T20826-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3811-49-2
Target
Others
Related Pathways
Others
Bioactivity
Dioxabenzofos, a pesticide, could cause reversible ataxia in mice, chicken, and sheep.
Smiles
S=P1(OC=2C=CC=CC2CO1)OC
Molecular Formula
C8H9O3PS
Molecular Weight
216.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Salithion

Salithion is an organic thiophosphate.

CAS Number3811-49-2
PubChem CID19657
IUPAC Name2-methoxy-2-sulfanylidene-4H-1,3,2lambda5-benzodioxaphosphinine
Molecular FormulaC8H9O3PS
Molecular Weight216.20
XLogP2.7
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity233
SMILES
COP1(=S)OCC2=CC=CC=C2O1
InChI
InChI=1S/C8H9O3PS/c1-9-12(13)10-6-7-4-2-3-5-8(7)11-12/h2-5H,6H2,1H3
InChIKey
OUNSASXJZHBGAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Salithion
CAS: 3811-49-2
CID: 19657
Formula: C8H9O3PS
MW: 216.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.20
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass216.00100232
Monoisotopic Mass216.00100232
Topological Polar Surface Area59.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity233
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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