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Common name


tecoram

Formula


C10H18N4S8

CAS


5836-23-7

IUPAC name


N,N,N',N'-tetramethyl-4,9-dithioxo-2,3,10,11-tetrathia-5,8-diazadodecanedithioamide

SMILES


CN(C)C(=S)SSC(=NCCN=C(S)SSC(=S)N(C)C)S

INCHI


InChI=1S/C10H18N4S8/c1-13(2)9(17)21-19-7(15)11-5-6-12-8(16)20-22-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)

Physicochemical Properties

Molecular weight:

449.93

Molar refractivity:

124.39

Num. bonds:

21

Num. double bonds:

4

Num. triple bonds:

0

Num. heavy atoms:

22

Num. nitrogen atom:

4

Num. oxygen atoms:

0

Num. sulphur atoms :

8

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

1

Complexity of system:

21.12

Lipophilicity

ALogP:

5.983

MLogP:

1.24

XLogP:

2.082

Water Solubility

CLogS:

-1.941

Geometric

PPSA-1:

373.077

PNSA-1:

394.506

RPCS:

0.92

RNCS:

1.182

THSA:

751.001

TPSA:

16.582

RHSA:

0.978

RPSA:

0.022

Electrostatic

RPCG:

0.092

RNCG:

0.191

Flexibility

Num. Rot. bonds: 12

12

Frac. of Rot. bonds:

0.571

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

8

topoDiameter:

15

TopoPSA:

267.14
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.111

QEF:

0.188

Gau:

6.27065