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Common name


cartap

Formula


C7H15N3O2S2

CAS


15263-53-3

IUPAC name


S,S'-[2-(dimethylamino)-1,3-propanediyl] dicarbamothioate

SMILES


CN(C)C(CSC(=O)N)CSC(=O)N

INCHI


InChI=1S/C7H15N3O2S2/c1-10(2)5(3-13-6(8)11)4-14-7(9)12/h5H,3-4H2,1-2H3,(H2,8,11)(H2,9,12)

Physicochemical Properties

Molecular weight:

237.343

Molar refractivity:

57.586

Num. bonds:

13

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

3

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

5

Num. H-bond donors:

2

Complexity of system:

13.07

Lipophilicity

ALogP:

1.139

MLogP:

1.46

XLogP:

-1.034

Water Solubility

CLogS:

-0.114

Geometric

PPSA-1:

289.53

PNSA-1:

221.962

RPCS:

5.532

RNCS:

0.281

THSA:

295.904

TPSA:

215.587

RHSA:

0.579

RPSA:

0.421

Electrostatic

RPCG:

0.167

RNCG:

0.199

Flexibility

Num. Rot. bonds:

7

Frac. of Rot. bonds:

0.538

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

8

TopoPSA:

87.98
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.554

QEI:

0.605

Gau:

5.509