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Common name


sodium tetrathiocarbonate

Formula


CNa2S4

CAS


7345-69-9

IUPAC name


disodium carbono(dithioperoxo)dithioateordisodium tetrathioperoxycarbonateorsodium thioperoxycarbonate (Na2CS4)

SMILES


C(=S)([S-])S[S-].[Na+].[Na+]

INCHI


InChI=1S/CH2S4.2Na/c2-1(3)5-4;;/h4H,(H,2,3);;/q;2*+1/p-2

Physicochemical Properties

Molecular weight:

141.904

Molar refractivity:

38.11

Num. bonds:

4

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

5

Num. nitrogen atom:

0

Num. oxygen atoms:

0

Num. sulphur atoms :

4

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

0

Complexity of system:

4.04

Lipophilicity

ALogP:

2.907

MLogP:

1.13

XLogP:

0.995

Water Solubility

CLogS:

-0.33

Geometric

PPSA-1:

165.854

PNSA-1:

324.246

RPCS:

11.42

RNCS:

38.389

THSA:

490.1

TPSA:

0

RHSA:

1

RPSA:

0

Electrostatic

RPCG:

0.364

RNCG:

0.406

Flexibility

Num. Rot. bonds: 1

1

Frac. of Rot. bonds:

0.25

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

2

topoDiameter:

3

TopoPSA:

134.99
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.891

QEF:

0.488

Gau:

5.41139