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Common name


carbophenothion

Formula


C11H16ClO2PS3

CAS


786-19-6

IUPAC name


S-[[(4-chlorophenyl)thio]methyl] O,O-diethyl phosphorodithioate

SMILES


CCOP(=S)(OCC)SCSc1ccc(cc1)Cl

INCHI


InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

Physicochemical Properties

Molecular weight:

342.865

Molar refractivity:

92.451

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 :

3

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

18.07

Lipophilicity

ALogP:

3.985

MLogP:

1.9

XLogP:

4.23

Water Solubility

CLogS:

-4.285

Geometric

PPSA-1:

305.856

PNSA-1:

195.434

RPCS:

0.04

RNCS:

0

THSA:

495.601

TPSA:

5.688

RHSA:

0.989

RPSA:

0.011

Electrostatic

RPCG:

0.183

RNCG:

0.268

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.444

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

110.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.723

QEI:

0.788

Gau:

5.904