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Common name


amobam

Formula


C4H14N4S4

CAS


608775

IUPAC name


diammonium ethylenebis(dithiocarbamate)

SMILES


C(CN=C(S)S)N=C(S)S.N.N

INCHI


InChI=1S/C4H8N2S4.2H3N/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);2*1H3

Physicochemical Properties

Molecular weight:

211.957

Molar refractivity:

56.217

Num. bonds:

9

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

10

Num. nitrogen atom:

2

Num. oxygen atoms:

0

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:

9.06

Lipophilicity

ALogP:

2.725

MLogP:

1.24

XLogP:

1.184

Water Solubility

CLogS:

-1.326

Geometric

PPSA-1:

221.804

PNSA-1:

264.905

RPCS:

1.263

RNCS:

4.471

THSA:

453.427

TPSA:

33.281

RHSA:

0.932

RPSA:

0.068

Electrostatic

RPCG:

0.117

RNCG:

0.267

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.333

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

4

topoDiameter:

7

TopoPSA:

179.92
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.227

QEF:

0.761

Gau:

6.43124