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Common name


azithiram

Formula


C6H14N4S4

CAS


5834-94-6

IUPAC name


bis(3,3-dimethylthiocarbazoyl) disulfide

SMILES


CN(C)N=C(S)SSC(=NN(C)C)S

INCHI


InChI=1S/C6H14N4S4/c1-9(2)7-5(11)13-14-6(12)8-10(3)4/h1-4H3,(H,7,11)(H,8,12)

Physicochemical Properties

Molecular weight:

270.01

Molar refractivity:

75.037

Num. bonds:

13

Num. double bonds:

2

Num. triple bonds:

0

Num. heavy atoms:

14

Num. nitrogen atom:

4

Num. oxygen atoms:

0

Num. sulphur atoms :

4

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

4

Num. H-bond donors:

2

Complexity of system:

13.08

Lipophilicity

ALogP:

3.182

MLogP:

1.24

XLogP:

0.196

Water Solubility

CLogS:

-0.732

Geometric

PPSA-1:

424.243

PNSA-1:

141.647

RPCS:

2.823

RNCS:

6.807

THSA:

516.262

TPSA:

49.627

RHSA:

0.912

RPSA:

0.088

Electrostatic

RPCG:

0.144

RNCG:

0.237

Flexibility

Num. Rot. bonds: 7

7

Frac. of Rot. bonds:

0.538

AgroPAD

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

5

topoDiameter:

9

TopoPSA:

145.32
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

1.493

QEF:

0.393

Gau:

6.27065