Responsive image

Common name


potassium thiocyanate

Formula


CKNS

CAS


333-20-0

IUPAC name


potassium thiocyanate

SMILES


C(#N)[S-].[K+]

INCHI


InChI=1S/CHNS.K/c2-1-3;/h3H;/q;+1/p-1

Physicochemical Properties

Molecular weight:

58.983

Molar refractivity:

15.347

Num. bonds:

2

Num. double bonds:

0

Num. triple bonds:

1

Num. heavy atoms:

3

Num. nitrogen atom:

1

Num. oxygen atoms:

0

Num. sulphur atoms :

1

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

0

Complexity of system:

2.02

Lipophilicity

ALogP:

0.646

MLogP:

1.35

XLogP:

0.183

Water Solubility

CLogS:

0.108

Geometric

PPSA-1:

53.163

PNSA-1:

160.582

RPCS:

18.654

RNCS:

66.9

THSA:

132.515

TPSA:

81.23

RHSA:

0.62

RPSA:

0.38

Electrostatic

RPCG:

0.605

RNCG:

0.824

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:

0

Topological

topoRadius:

1

topoDiameter:

2

TopoPSA:

62.59
Responsive image

Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

4.782

QEF:

0.638

Gau:

5.11575