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Common name


methiocarb

Formula


C11H15NO2S

CAS


2032-65-7

IUPAC name


3,5-dimethyl-4-(methylthio)phenyl N-methylcarbamate

SMILES


Cc1cc(cc(C)c1SC)OC(=O)NC

INCHI


InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)

Physicochemical Properties

Molecular weight:

225.307

Molar refractivity:

66.155

Num. bonds:

15

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

1

Num. oxygen atoms:

2

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:

15.04

Lipophilicity

ALogP:

2.114

MLogP:

2.23

XLogP:

1.625

Water Solubility

CLogS:

-3.021

Geometric

PPSA-1:

332.267

PNSA-1:

179.526

RPCS:

5.333

RNCS:

5.975

THSA:

410.489

TPSA:

101.304

RHSA:

0.802

RPSA:

0.198

Electrostatic

RPCG:

0.312

RNCG:

0.242

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.267

Photostability

Num. arom. bonds:

7

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

51.6
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.465

QEI:

0.695

Gau:

6.386