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Common name


chlormephos

Formula


C5H12ClO2PS2

CAS


24934-91-6

IUPAC name


S-(chloromethyl) O,O-diethyl phosphorodithioate

SMILES


CCOP(=S)(OCC)SCCl

INCHI


InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3

Physicochemical Properties

Molecular weight:

234.704

Molar refractivity:

55.76

Num. bonds:

10

Num. double bonds:

1

Num. triple bonds:

0

Num. heavy atoms:

11

Num. nitrogen atom:

0

Num. oxygen atoms:

2

Num. sulphur atoms :

2

Num. P atoms:

1

Num. halogen atoms:

1

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

10.06

Lipophilicity

ALogP:

2.603

MLogP:

1.35

XLogP:

3.18

Water Solubility

CLogS:

-2.305

Geometric

PPSA-1:

353.046

PNSA-1:

179.689

RPCS:

0.155

RNCS:

7.668

THSA:

497.273

TPSA:

35.462

RHSA:

0.933

RPSA:

0.067

Electrostatic

RPCG:

0.235

RNCG:

0.343

Flexibility

Num. Rot. bonds:

6

Frac. of Rot. bonds:

0.6

Photostability

Num. arom. bonds:

0

Num. arom. atoms:

0

Num. arom. rings:

0

Num. rings:

0

Topological

topoRadius:

3

topoDiameter:

6

TopoPSA:

85.66
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

2.225

QEI:

0.882

Gau:

6.558