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Common name


tazimcarb

Formula


C8H13N3O3S

CAS


40085-57-2

IUPAC name


3,5,5-trimethyl-2,4-thiazolidinedione 2-[O-[(methylamino)carbonyl]oxime]

SMILES


CC1(C)C(=O)N(C)/C(=NOC(=O)NC)/S1

INCHI


InChI=1S/C8H13N3O3S/c1-8(2)5(12)11(4)6(15-8)10-14-7(13)9-3/h1-4H3,(H,9,13)

Physicochemical Properties

Molecular weight:

231.272

Molar refractivity:

55.389

Num. bonds:

15

Num. double bonds:

3

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

3

Num. oxygen atoms:

3

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

1

Complexity of system:

15.07

Lipophilicity

ALogP:

1.224

MLogP:

1.57

XLogP:

0.277

Water Solubility

CLogS:

-0.884

Geometric

PPSA-1:

334.197

PNSA-1:

214.804

RPCS:

2.174

RNCS:

6.852

THSA:

460.469

TPSA:

88.532

RHSA:

0.839

RPSA:

0.161

Electrostatic

RPCG:

0.262

RNCG:

0.202

Flexibility

Num. Rot. bonds:

3

Frac. of Rot. bonds:

0.2

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

4

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

81.03
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.73

QEI:

0.69

Gau:

5.965