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Common name


sulprofos

Formula


C12H19O2PS3

CAS


35400-43-2

IUPAC name


O-ethyl O-[4-(methylthio)phenyl] S-propyl phosphorodithioate

SMILES


CCCSP(=S)(OCC)Oc1ccc(cc1)SC

INCHI


InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3

Physicochemical Properties

Molecular weight:

322.447

Molar refractivity:

92.057

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:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

18.06

Lipophilicity

ALogP:

2.689

MLogP:

2.12

XLogP:

4.864

Water Solubility

CLogS:

-4.069

Geometric

PPSA-1:

296.797

PNSA-1:

192.184

RPCS:

0

RNCS:

3.301

THSA:

477.418

TPSA:

11.562

RHSA:

0.976

RPSA:

0.024

Electrostatic

RPCG:

0.199

RNCG:

0.286

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:

1.645

QEI:

0.824

Gau:

6.084