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Common name


pirimioxyphos

Formula


C10H17N2O4PS

CAS


55996-32-2

IUPAC name


O,O-diethyl O-(2-methoxy-6-methyl-4-pyrimidinyl) phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1cc(C)nc(n1)OC

INCHI


InChI=1S/C10H17N2O4PS/c1-5-14-17(18,15-6-2)16-9-7-8(3)11-10(12-9)13-4/h7H,5-6H2,1-4H3

Physicochemical Properties

Molecular weight:

292.292

Molar refractivity:

72.339

Num. bonds:

18

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

2

Num. oxygen atoms:

4

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

18.08

Lipophilicity

ALogP:

1.822

MLogP:

1.68

XLogP:

2.166

Water Solubility

CLogS:

-3.036

Geometric

PPSA-1:

549.49

PNSA-1:

164.342

RPCS:

2.849

RNCS:

4.176

THSA:

603.749

TPSA:

110.083

RHSA:

0.846

RPSA:

0.154

Electrostatic

RPCG:

0.178

RNCG:

0.188

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:

9

TopoPSA:

104.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.807

QEI:

0.918

Gau:

6.16