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Common name


fonofos

Formula


C10H15OPS2

CAS


944-22-9

IUPAC name


O-ethyl S-phenyl P-ethylphosphonodithioate

SMILES


CCOP(=S)(CC)Sc1ccccc1

INCHI


InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

246.329

Molar refractivity:

72.335

Num. bonds:

14

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

0

Num. oxygen atoms:

1

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

14.04

Lipophilicity

ALogP:

2.145

MLogP:

2.12

XLogP:

3.662

Water Solubility

CLogS:

-3.302

Geometric

PPSA-1:

250.951

PNSA-1:

152.916

RPCS:

0.939

RNCS:

1.582

THSA:

400.108

TPSA:

3.759

RHSA:

0.991

RPSA:

0.009

Electrostatic

RPCG:

0.126

RNCG:

0.421

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.357

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

76.43
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.9

QEI:

0.809

Gau:

6.061