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Common name


terbufos

Formula


C9H21O2PS3

CAS


13071-79-9

IUPAC name


S-[[(1,1-dimethylethyl)thio]methyl] O,O-diethyl phosphorodithioate

SMILES


CCOP(=S)(OCC)SCSC(C)(C)C

INCHI


InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3

Physicochemical Properties

Molecular weight:

288.431

Molar refractivity:

76.952

Num. bonds:

14

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

15

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

3

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

14.06

Lipophilicity

ALogP:

3.694

MLogP:

1.79

XLogP:

4.501

Water Solubility

CLogS:

-2.997

Geometric

PPSA-1:

359.649

PNSA-1:

105.941

RPCS:

0

RNCS:

0

THSA:

457.758

TPSA:

7.832

RHSA:

0.983

RPSA:

0.017

Electrostatic

RPCG:

0.202

RNCG:

0.296

Flexibility

Num. Rot. bonds:

8

Frac. of Rot. bonds:

0.571

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

110.96
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.132

QEI:

0.831

Gau:

5.89