Responsive image

Common name


zinc thiazole

Formula


C4H4N6S4Zn

CAS


IUPAC name


5-amino-1,3,4-thiadiazole-2-thiol zinc salt (2:1)

SMILES


c1(=N)[nH]nc([S-])s1.c1(=N)[nH]nc([S-])s1.[Zn+2]

INCHI


InChI=1S/2C2H3N3S2.Zn/c2*3-1-4-5-2(6)7-1;/h2*(H2,3,4)(H,5,6);/q;;+2/p-2

Physicochemical Properties

Molecular weight:

134.992

Molar refractivity:

Num. bonds:

7

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

7

Num. nitrogen atom:

3

Num. oxygen atoms:

0

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

3

Num. H-bond donors:

3

Complexity of system:

7.05

Lipophilicity

ALogP:

MLogP:

1.13

XLogP:

Water Solubility

CLogS:

-1.045

Geometric

PPSA-1:

245.042

PNSA-1:

320.359

RPCS:

12.909

RNCS:

23.725

THSA:

408.773

TPSA:

156.628

RHSA:

0.723

RPSA:

0.277

Electrostatic

RPCG:

0.204

RNCG:

0.305

Flexibility

Num. Rot. bonds: 0

0

Frac. of Rot. bonds:

0

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

1

Topological

topoRadius:

2

topoDiameter:

4

TopoPSA:

112.01
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

0

QEF:

0.331

Gau:

6.90504