Responsive image

Common name


dipyrithione

Formula


C10H8N2O2S2

CAS


3696-28-4

IUPAC name


2,2'-dithiobis[pyridine] 1,1'-dioxide

SMILES


c1ccn(=O)c(c1)SSc1ccccn1=O

INCHI


InChI=1S/C10H8N2O2S2/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14/h1-8H

Physicochemical Properties

Molecular weight:

266.112

Molar refractivity:

53.965

Num. bonds:

17

Num. double bonds:

0

Num. triple bonds:

0

Num. heavy atoms:

16

Num. nitrogen atom:

2

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

0

Num. H-bond donors:

4

Complexity of system:

49.06

Lipophilicity

ALogP:

-4.068

MLogP:

1.9

XLogP:

0.93

Water Solubility

CLogS:

-1.644

Geometric

PPSA-1:

PNSA-1:

RPCS:

RNCS:

THSA:

TPSA:

RHSA:

RPSA:

Electrostatic

RPCG:

RNCG:

Flexibility

Num. Rot. bonds: 3

3

Frac. of Rot. bonds:

0.176

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

2

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

99.94
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.728

QEF:

0.145

Gau:

4.95544