IUPAC name
3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
SMILES
C1=CCC2C(C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
captan
IUPAC name
3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
SMILES
C1=CCC2C(C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
INCHI
InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
FORMULA
C9H8Cl3NO2S
Common name
captan
IUPAC name
3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
Molecular weight
300.589
clogP
1.974
clogS
-2.279
HBond Acceptor
2
HBond Donor
0
Total Polar Surface Area
62.68
Number of Rings
2
Rotatable Bond
2
