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Common name


fenthion

Formula


C10H15O3PS2

CAS


55-38-9

IUPAC name


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

SMILES


Cc1cc(ccc1SC)OP(=S)(OC)OC

INCHI


InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3

Physicochemical Properties

Molecular weight:

278.328

Molar refractivity:

77.776

Num. bonds:

16

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

16

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:

16.06

Lipophilicity

ALogP:

2.654

MLogP:

1.9

XLogP:

3.175

Water Solubility

CLogS:

-3.043

Geometric

PPSA-1:

362.468

PNSA-1:

125.772

RPCS:

2.369

RNCS:

5.685

THSA:

423.39

TPSA:

64.851

RHSA:

0.867

RPSA:

0.133

Electrostatic

RPCG:

0.245

RNCG:

0.257

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.313

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

94.89
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.913

QEI:

0.863

Gau:

6.918