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Common name


cadusafos

Formula


C10H23O2PS2

CAS


95465-99-9

IUPAC name


O-ethyl S,S-bis(1-methylpropyl) phosphorodithioate

SMILES


CCC(C)SP(=O)(OCC)SC(C)CC

INCHI


InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3

Physicochemical Properties

Molecular weight:

270.392

Molar refractivity:

70.1

Num. bonds:

14

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

0

Num. oxygen atoms:

2

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:

14.05

Lipophilicity

ALogP:

0.899

MLogP:

2.01

XLogP:

3.221

Water Solubility

CLogS:

-3.108

Geometric

PPSA-1:

354.536

PNSA-1:

164.375

RPCS:

0

RNCS:

0

THSA:

518.911

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.289

RNCG:

0.297

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.571

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

86.71
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.132

QEI:

0.869

Gau:

6.236