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Common name


sophamide

Formula


C6H14NO4PS2

CAS


37032-15-8

IUPAC name


S-[2-[(methoxymethyl)amino]-2-oxoethyl] O,O-dimethyl phosphorodithioate

SMILES


COCNC(=O)CSP(=S)(OC)OC

INCHI


InChI=1S/C6H14NO4PS2/c1-9-5-7-6(8)4-14-12(13,10-2)11-3/h4-5H2,1-3H3,(H,7,8)

Physicochemical Properties

Molecular weight:

259.283

Molar refractivity:

60.39

Num. bonds:

13

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

14

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:

13.08

Lipophilicity

ALogP:

0.68

MLogP:

1.24

XLogP:

0.846

Water Solubility

CLogS:

-0.927

Geometric

PPSA-1:

377.529

PNSA-1:

155.736

RPCS:

0.06

RNCS:

12.477

THSA:

426.317

TPSA:

106.948

RHSA:

0.799

RPSA:

0.201

Electrostatic

RPCG:

0.137

RNCG:

0.231

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.615

Photostability

Num. arom. bonds:

1

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

111.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.547

QEI:

0.667

Gau:

4.94