Common name
thicrofos
Formula
C13H18ClO3PS2
CAS
41219-32-3
IUPAC name
S-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl) O,O-diethyl phosphorothioate
SMILES
CCOP(=O)(OCC)SC1CCSc2ccc(cc12)Cl
INCHI
InChI=1S/C13H18ClO3PS2/c1-3-16-18(15,17-4-2)20-13-7-8-19-12-6-5-10(14)9-11(12)13/h5-6,9,13H,3-4,7-8H2,1-2H3
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
Num. double bonds:
Num. triple bonds:
Num. heavy atoms:
Num. nitrogen atom:
Num. oxygen atoms:
Num. sulphur atoms :
Num. P atoms:
Num. halogen atoms:
Num. H-bond acc:
Num. H-bond donors:
Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
RPCS:
RNCS:
THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds:
Frac. of Rot. bonds:
Photostability
Num. arom. bonds:
Num. arom. atoms:
Num. arom. rings:
Num. rings:
Topological
topoRadius:
topoDiameter:
TopoPSA:
Radar annotation
Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
RDL:
QEI:
Gau: