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Common name


thiometon

Formula


C6H15O2PS3

CAS


640-15-3

IUPAC name


S-[2-(ethylthio)ethyl] O,O-dimethyl phosphorodithioate

SMILES


CCSCCSP(=S)(OC)OC

INCHI


InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3

Physicochemical Properties

Molecular weight:

246.351

Molar refractivity:

64.045

Num. bonds:

11

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

3

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

11.06

Lipophilicity

ALogP:

2.53

MLogP:

1.46

XLogP:

3.321

Water Solubility

CLogS:

-2.186

Geometric

PPSA-1:

317.105

PNSA-1:

189.947

RPCS:

0.051

RNCS:

0.117

THSA:

488.777

TPSA:

18.276

RHSA:

0.964

RPSA:

0.036

Electrostatic

RPCG:

0.23

RNCG:

0.342

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.636

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

110.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.471

QEI:

0.898

Gau:

6.261