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Common name


thiodicarb

Formula


C10H18N4O4S3

CAS


59669-26-0

IUPAC name


dimethyl N,N'-[thiobis[(methylimino)carbonyloxy]]bis[ethanimidothioate]

SMILES


CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC

INCHI


InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3

Physicochemical Properties

Molecular weight:

354.469

Molar refractivity:

86.999

Num. bonds:

20

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

21

Num. nitrogen atom:

4

Num. oxygen atoms:

4

Num. sulphur atoms :

3

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

20.11

Lipophilicity

ALogP:

2.102

MLogP:

1.35

XLogP:

2.701

Water Solubility

CLogS:

-0.732

Geometric

PPSA-1:

527.381

PNSA-1:

368.75

RPCS:

1.689

RNCS:

4.583

THSA:

824.02

TPSA:

72.11

RHSA:

0.92

RPSA:

0.08

Electrostatic

RPCG:

0.23

RNCG:

0.149

Flexibility

Num. Rot. bonds:

10

Frac. of Rot. bonds:

0.5

Photostability

Num. arom. bonds:

2

Num. arom. atoms:

4

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

7

topoDiameter:

14

TopoPSA:

153.22
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.932

QEI:

0.707

Gau:

4.84