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Common name


fenthion-ethyl

Formula


C12H19O3PS2

CAS


1716-09-2

IUPAC name


O,O-diethyl O-[3-methyl-4-(methylthio)phenyl] phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1ccc(c(C)c1)SC

INCHI


InChI=1S/C12H19O3PS2/c1-5-13-16(17,14-6-2)15-11-7-8-12(18-4)10(3)9-11/h7-9H,5-6H2,1-4H3

Physicochemical Properties

Molecular weight:

306.381

Molar refractivity:

86.364

Num. bonds:

18

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

0

Num. oxygen atoms:

3

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:

18.06

Lipophilicity

ALogP:

3.155

MLogP:

2.12

XLogP:

4.021

Water Solubility

CLogS:

-3.841

Geometric

PPSA-1:

398.336

PNSA-1:

196.311

RPCS:

0.204

RNCS:

4.977

THSA:

550.222

TPSA:

44.426

RHSA:

0.925

RPSA:

0.075

Electrostatic

RPCG:

0.231

RNCG:

0.239

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:

94.89
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.062

QEI:

0.877

Gau:

6.836