Responsive image

Common name


vamidothion

Formula


C8H18NO4PS2

CAS


2275-23-2

IUPAC name


O,O-dimethyl S-[2-[[1-methyl-2-(methylamino)-2-oxoethyl]thio]ethyl] phosphorothioate

SMILES


CC(C(=O)NC)SCCSP(=O)(OC)OC

INCHI


InChI=1S/C8H18NO4PS2/c1-7(8(10)9-2)15-5-6-16-14(11,12-3)13-4/h7H,5-6H2,1-4H3,(H,9,10)

Physicochemical Properties

Molecular weight:

287.337

Molar refractivity:

68.423

Num. bonds:

15

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:

5

Num. H-bond donors:

1

Complexity of system:

15.08

Lipophilicity

ALogP:

0.64

MLogP:

1.46

XLogP:

0.212

Water Solubility

CLogS:

-1.52

Geometric

PPSA-1:

244.951

PNSA-1:

234.604

RPCS:

0.202

RNCS:

0

THSA:

375.333

TPSA:

104.222

RHSA:

0.783

RPSA:

0.217

Electrostatic

RPCG:

0.229

RNCG:

0.185

Flexibility

Num. Rot. bonds:

9

Frac. of Rot. bonds:

0.6

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

113.01
Responsive image

Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.537

QEI:

0.612

Gau:

4.776