Responsive image

Common name


acethion

Formula


C8H17O4PS2

CAS


919-54-0

IUPAC name


ethyl 2-[(diethoxyphosphinothioyl)thio]acetate

SMILES


CCOC(=O)CSP(=S)(OCC)OCC

INCHI


InChI=1S/C8H17O4PS2/c1-4-10-8(9)7-15-13(14,11-5-2)12-6-3/h4-7H2,1-3H3

Physicochemical Properties

Molecular weight:

272.322

Molar refractivity:

66.268

Num. bonds:

14

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

15

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:

14.07

Lipophilicity

ALogP:

2.124

MLogP:

1.57

XLogP:

2.699

Water Solubility

CLogS:

-2.163

Geometric

PPSA-1:

376.078

PNSA-1:

178.291

RPCS:

0.473

RNCS:

0.234

THSA:

500.848

TPSA:

53.522

RHSA:

0.903

RPSA:

0.097

Electrostatic

RPCG:

0.193

RNCG:

0.228

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:

111.96
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.932

QEI:

0.804

Gau:

5.638