Responsive image

Common name


ethoprophos

Formula


C8H19O2PS2

CAS


13194-48-4

IUPAC name


O-ethyl S,S-dipropyl phosphorodithioate

SMILES


CCCSP(=O)(OCC)SCCC

INCHI


InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3

Physicochemical Properties

Molecular weight:

242.339

Molar refractivity:

60.931

Num. bonds:

12

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

13

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

12.05

Lipophilicity

ALogP:

0.92

MLogP:

1.79

XLogP:

2.627

Water Solubility

CLogS:

-3.052

Geometric

PPSA-1:

310.593

PNSA-1:

204.182

RPCS:

0.07

RNCS:

2.724

THSA:

466.34

TPSA:

48.435

RHSA:

0.906

RPSA:

0.094

Electrostatic

RPCG:

0.316

RNCG:

0.326

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.667

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

86.71
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.218

QEI:

0.843

Gau:

6.106