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Common name


ethion

Formula


C9H22O4P2S4

CAS


563-12-2

IUPAC name


S,S'-methylene bis(O,O-diethyl phosphorodithioate)

SMILES


CCOP(=S)(OCC)SCSP(=S)(OCC)OCC

INCHI


InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3

Physicochemical Properties

Molecular weight:

384.476

Molar refractivity:

95.082

Num. bonds:

18

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

19

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

4

Num. P atoms:

2

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

18.1

Lipophilicity

ALogP:

4.134

MLogP:

1.35

XLogP:

4.978

Water Solubility

CLogS:

-3.014

Geometric

PPSA-1:

406.139

PNSA-1:

154.532

RPCS:

0.031

RNCS:

0

THSA:

552.96

TPSA:

7.71

RHSA:

0.986

RPSA:

0.014

Electrostatic

RPCG:

0.139

RNCG:

0.204

Flexibility

Num. Rot. bonds:

12

Frac. of Rot. bonds:

0.667

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

171.32
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.548

QEI:

0.553

Gau:

3.994