Responsive image

Common name


oxydemeton-methyl

Formula


C6H15O4PS2

CAS


301-12-2

IUPAC name


S-[2-(ethylsulfinyl)ethyl] O,O-dimethyl phosphorothioate

SMILES


CCS(=O)CCSP(=O)(OC)OC

INCHI


InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3

Physicochemical Properties

Molecular weight:

246.285

Molar refractivity:

57.426

Num. bonds:

12

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

12.07

Lipophilicity

ALogP:

0.519

MLogP:

1.35

XLogP:

-0.659

Water Solubility

CLogS:

-1.89

Geometric

PPSA-1:

308.795

PNSA-1:

203.308

RPCS:

0.069

RNCS:

0

THSA:

427.728

TPSA:

84.375

RHSA:

0.835

RPSA:

0.165

Electrostatic

RPCG:

0.312

RNCG:

0.252

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.583

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

106.92
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.166

QEI:

0.848

Gau:

5.595