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Common name


prothiofos

Formula


C11H15Cl2O2PS2

CAS


34643-46-4

IUPAC name


O-(2,4-dichlorophenyl) O-ethyl S-propyl phosphorodithioate

SMILES


CCCSP(=S)(OCC)Oc1ccc(cc1Cl)Cl

INCHI


InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

Physicochemical Properties

Molecular weight:

345.245

Molar refractivity:

88.672

Num. bonds:

18

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

2

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

18.07

Lipophilicity

ALogP:

3.18

MLogP:

1.9

XLogP:

5.321

Water Solubility

CLogS:

-4.94

Geometric

PPSA-1:

229.719

PNSA-1:

243.951

RPCS:

0

RNCS:

3.209

THSA:

462.108

TPSA:

11.562

RHSA:

0.976

RPSA:

0.024

Electrostatic

RPCG:

0.193

RNCG:

0.278

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.389

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

85.66
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.833

QEI:

0.835

Gau:

6.391