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Common name


morphothion

Formula


C8H16NO4PS2

CAS


144-41-2

IUPAC name


O,O-dimethyl S-[2-(4-morpholinyl)-2-oxoethyl] phosphorodithioate

SMILES


COP(=S)(OC)SCC(=O)N1CCOCC1

INCHI


InChI=1S/C8H16NO4PS2/c1-11-14(15,12-2)16-7-8(10)9-3-5-13-6-4-9/h3-7H2,1-2H3

Physicochemical Properties

Molecular weight:

285.321

Molar refractivity:

69.308

Num. bonds:

16

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

1

Num. oxygen atoms:

4

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

0

Complexity of system:

16.08

Lipophilicity

ALogP:

0.619

MLogP:

1.46

XLogP:

0.641

Water Solubility

CLogS:

-1.002

Geometric

PPSA-1:

512.994

PNSA-1:

112.749

RPCS:

5.122

RNCS:

5.443

THSA:

505.875

TPSA:

119.868

RHSA:

0.808

RPSA:

0.192

Electrostatic

RPCG:

0.136

RNCG:

0.235

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.375

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

2

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

111.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.875

QEI:

0.897

Gau:

5.856