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Fosthiazate

CAT: 0607-BA8479-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8479-25Size:25 mg
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CAS Number
98886-44-3
Form
When <25°C is a solid, and >25°C is a liquid
Molecular Formula
C9H18NO3PS2
Molecular Weight
283.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fosthiazate

Fosthiazate is an organothiophosphate insecticide, an organic phosphonate and a phosphonic ester. It has a role as a nematicide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.

CAS Number98886-44-3
PubChem CID91758
IUPAC Name3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
Molecular FormulaC9H18NO3PS2
Molecular Weight283.4
XLogP2
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity300
SMILES
CCC(C)SP(=O)(N1CCSC1=O)OCC
InChI
InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
InChIKey
DUFVKSUJRWYZQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fosthiazate
CAS: 98886-44-3
CID: 91758
Formula: C9H18NO3PS2
MW: 283.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight283.4
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass283.04657278
Monoisotopic Mass283.04657278
Topological Polar Surface Area97.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes