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Common name


fensulfothion

Formula


C11H17O4PS2

CAS


115-90-2

IUPAC name


O,O-diethyl O-[4-(methylsulfinyl)phenyl] phosphorothioate

SMILES


CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C

INCHI


InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3

Physicochemical Properties

Molecular weight:

308.354

Molar refractivity:

83.454

Num. bonds:

18

Num. double bonds:

5

Num. triple bonds:

0

Num. heavy atoms:

18

Num. nitrogen atom:

0

Num. oxygen atoms:

4

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

0

Complexity of system:

18.07

Lipophilicity

ALogP:

1.597

MLogP:

1.9

XLogP:

1.811

Water Solubility

CLogS:

-3.209

Geometric

PPSA-1:

381.666

PNSA-1:

172.096

RPCS:

0.192

RNCS:

4.679

THSA:

458.275

TPSA:

95.488

RHSA:

0.828

RPSA:

0.172

Electrostatic

RPCG:

0.217

RNCG:

0.225

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.389

Photostability

Num. arom. bonds:

6

Num. arom. atoms:

6

Num. arom. rings:

1

Num. rings:

1

Topological

topoRadius:

5

topoDiameter:

10

TopoPSA:

105.87
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.972

QEI:

0.947

Gau:

6.522