Responsive image

Common name


methomyl

Formula


C5H10N2O2S

CAS


16752-77-5

IUPAC name


methyl N-[[(methylamino)carbonyl]oxy]ethanimidothioate

SMILES


C/C(=NOC(=O)NC)/SC

INCHI


InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)

Physicochemical Properties

Molecular weight:

162.21

Molar refractivity:

39.603

Num. bonds:

9

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

9.05

Lipophilicity

ALogP:

0.756

MLogP:

1.46

XLogP:

1.049

Water Solubility

CLogS:

-0.494

Geometric

PPSA-1:

384.011

PNSA-1:

252.208

RPCS:

3.663

RNCS:

8.034

THSA:

589

TPSA:

47.219

RHSA:

0.926

RPSA:

0.074

Electrostatic

RPCG:

0.399

RNCG:

0.27

Flexibility

Num. Rot. bonds:

4

Frac. of Rot. bonds:

0.444

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

2

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

63.96
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.885

QEI:

0.603

Gau:

5.144