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Common name


mesulfenfos

Formula


C10H15O4PS2

CAS


3761-41-9

IUPAC name


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

SMILES


Cc1cc(ccc1S(=O)C)OP(=S)(OC)OC

INCHI


InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3

Physicochemical Properties

Molecular weight:

294.327

Molar refractivity:

79.148

Num. bonds:

17

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

17

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

17.07

Lipophilicity

ALogP:

1.542

MLogP:

1.79

XLogP:

1.146

Water Solubility

CLogS:

-2.945

Geometric

PPSA-1:

362.552

PNSA-1:

132.699

RPCS:

2.178

RNCS:

5.227

THSA:

387.14

TPSA:

108.11

RHSA:

0.782

RPSA:

0.218

Electrostatic

RPCG:

0.226

RNCG:

0.236

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.294

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

105.87
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.83

QEI:

0.915

Gau:

6.497