IUPAC name
S,S
SMILES
CC(C)Cc1c(c(C(F)F)nc(c1C(=O)SC)C(F)(F)F)C(=O)SC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
dithiopyr
IUPAC name
S,S
SMILES
CC(C)Cc1c(c(C(F)F)nc(c1C(=O)SC)C(F)(F)F)C(=O)SC
INCHI
InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3
FORMULA
C15H16F5NO2S2
Common name
dithiopyr
IUPAC name
S,S
Molecular weight
401.415
clogP
5.882
clogS
-5.560
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
97.63
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF06029 | S-methyl pyridine-3-carbothioate |
|
c1ccncc1C(=O)SC | 0.0003 |
| FDBF06030 | 2-(difluoromethyl)pyridine |
|
c1ccnc(c1)C(F)F | 0.0003 |
| FDBF06034 | S-methyl 2-(trifluoromethyl)pyridine-3-carbothioate |
|
c1c(c(ncc1)C(F)(F)F)C(=O)SC | 0.0003 |
| FDBF06036 | 2-(difluoromethyl)-4-methylpyridine |
|
Cc1ccnc(c1)C(F)F | 0.0003 |
| FDBF06037 | 4-methyl-2-(trifluoromethyl)pyridine |
|
Cc1cc(ncc1)C(F)(F)F | 0.0003 |
| FDBF06038 | S-methyl 2-(difluoromethyl)pyridine-3-carbothioate |
|
c1ccnc(c1C(=O)SC)C(F)F | 0.0003 |
| FDBF06039 | S-methyl methanethioate |
|
C(=O)SC | 0.0003 |
18 ,
2
