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Common name


EXD

Formula


C6H10O2S4

CAS


502-55-6

IUPAC name


thioperoxydicarbonic acid ([(HO)C(S)]2S2) diethyl ester

SMILES


CCOC(=S)SSC(=S)OCC

INCHI


InChI=1S/C6H10O2S4/c1-3-7-5(9)11-12-6(10)8-4-2/h3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

242.402

Molar refractivity:

64.135

Num. bonds:

11

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

12

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

4

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

11.06

Lipophilicity

ALogP:

4.539

MLogP:

1.46

XLogP:

1.806

Water Solubility

CLogS:

-1.477

Geometric

PPSA-1:

334.91

PNSA-1:

239.052

RPCS:

0

RNCS:

7.522

THSA:

544.942

TPSA:

29.02

RHSA:

0.949

RPSA:

0.051

Electrostatic

RPCG:

0.203

RNCG:

0.408

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.636

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

133.24
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.471

QEI:

0.771

Gau:

5.335