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Disulfoton

CAT: 1596-AR-D07286-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07286-02Size:25 Units
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CAS Number
298-04-4
Molecular Formula
C8H19O2PS3
Molecular Weight
274.39
API Name
Disulfoton

Chemical Information

Disulfoton

Disulfoton is an organic thiophosphate that is the diethyl ester of S-[2-(ethylsulfanyl)ethyl] dihydrogen phosphorodithioate. It has a role as an acaricide, an agrochemical and an EC 3.1.1.7 (acetylcholinesterase) inhibitor. It is an organothiophosphate insecticide and an organic thiophosphate.

CAS Number298-04-4
PubChem CID3118
IUPAC Namediethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Molecular FormulaC8H19O2PS3
Molecular Weight274.4
XLogP4
Topological Polar Surface Area101
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity168
SMILES
CCOP(=S)(OCC)SCCSCC
InChI
InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
InChIKey
DOFZAZXDOSGAJZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Disulfoton
CAS: 298-04-4
CID: 3118
Formula: C8H19O2PS3
MW: 274.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight274.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass274.02848036
Monoisotopic Mass274.02848036
Topological Polar Surface Area101 Ų
Heavy Atom Count14
Formal Charge0
Complexity168
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