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Common name


oxydisulfoton

Formula


C8H19O3PS3

CAS


2497-07-6

IUPAC name


O,O-diethyl S-[2-(ethylsulfinyl)ethyl] phosphorodithioate

SMILES


CCOP(=S)(OCC)SCCS(=O)CC

INCHI


InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3

Physicochemical Properties

Molecular weight:

290.403

Molar refractivity:

74.004

Num. bonds:

14

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

0

Num. oxygen atoms:

3

Num. sulphur atoms :

3

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

14.07

Lipophilicity

ALogP:

1.919

MLogP:

1.57

XLogP:

2.138

Water Solubility

CLogS:

-2.89

Geometric

PPSA-1:

347.533

PNSA-1:

111.988

RPCS:

0

RNCS:

0

THSA:

431.612

TPSA:

27.909

RHSA:

0.939

RPSA:

0.061

Electrostatic

RPCG:

0.197

RNCG:

0.29

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.643

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

121.94
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.109

QEI:

0.839

Gau:

6.146