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Common name


dazomet

Formula


C5H10N2S2

CAS


533-74-4

IUPAC name


tetrahydro-3,5-dimethyl-2H-1,3,5-thiadiazine-2-thione

SMILES


CN1CN(C)C(=S)SC1

INCHI


InChI=1S/C5H10N2S2/c1-6-3-7(2)5(8)9-4-6/h3-4H2,1-2H3

Physicochemical Properties

Molecular weight:

163.036

Molar refractivity:

43.088

Num. bonds:

9

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

9

Num. nitrogen atom:

2

Num. oxygen atoms:

0

Num. sulphur atoms :

2

Num. P atoms:

0

Num. halogen atoms:

0

Num. H-bond acc:

1

Num. H-bond donors:

1

Complexity of system:

9.04

Lipophilicity

ALogP:

0.145

MLogP:

1.57

XLogP:

0.62

Water Solubility

CLogS:

-0.35

Geometric

PPSA-1:

282.725

PNSA-1:

171.571

RPCS:

2.408

RNCS:

4.944

THSA:

441.072

TPSA:

13.224

RHSA:

0.971

RPSA:

0.029

Electrostatic

RPCG:

0.145

RNCG:

0.452

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:

3

topoDiameter:

5

TopoPSA:

65.07
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Fungicide-likeness scores


The higher the score, the better the fungicide-likeness

RDL:

2.773

QEF:

0.654

Gau:

6.27642