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Common name


thiamethoxam

Formula


C8H10ClN5O3S

CAS


153719-23-4

IUPAC name


3-[(2-chloro-5-thiazolyl)methyl]tetrahydro-5-methyl-N-nitro-4H-1,3,5-oxadiazin-4-imine

SMILES


CN1COCN(Cc2cnc(Cl)s2)C1=NN(=O)=O

INCHI


InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3

Physicochemical Properties

Molecular weight:

291.715

Molar refractivity:

64.435

Num. bonds:

19

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

5

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

1

Num. H-bond acc:

5

Num. H-bond donors:

0

Complexity of system:

55.1

Lipophilicity

ALogP:

0.089

MLogP:

1.24

XLogP:

2.306

Water Solubility

CLogS:

-1.68

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.158

Photostability

Num. arom. bonds:

5

Num. arom. atoms:

5

Num. arom. rings:

1

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

112.34
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.513

QEI:

0.632

Gau:

4.837