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Common name


oxydeprofos

Formula


C7H17O4PS2

CAS


2674-91-1

IUPAC name


S-[2-(ethylsulfinyl)-1-methylethyl] O,O-dimethyl phosphorothioate

SMILES


CCS(=O)CC(C)SP(=O)(OC)OC

INCHI


InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3

Physicochemical Properties

Molecular weight:

260.311

Molar refractivity:

62.01

Num. bonds:

13

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

14

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:

13.07

Lipophilicity

ALogP:

0.508

MLogP:

1.46

XLogP:

-0.362

Water Solubility

CLogS:

-1.918

Geometric

PPSA-1:

348.163

PNSA-1:

173.893

RPCS:

0

RNCS:

0

THSA:

468.259

TPSA:

53.797

RHSA:

0.897

RPSA:

0.103

Electrostatic

RPCG:

0.3

RNCG:

0.242

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.538

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

106.92
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.166

QEI:

0.861

Gau:

5.664