IUPAC name
N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N'-(1,1-dimethylethyl)thiourea
SMILES
CC(C)c1cc(cc(C(C)C)c1N=C(NC(C)(C)C)S)Oc1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
diafenthiuron
IUPAC name
N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N'-(1,1-dimethylethyl)thiourea
SMILES
CC(C)c1cc(cc(C(C)C)c1N=C(NC(C)(C)C)S)Oc1ccccc1
INCHI
InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
FORMULA
C23H32N2OS
Common name
diafenthiuron
IUPAC name
N-[2,6-bis(1-methylethyl)-4-phenoxyphenyl]-N'-(1,1-dimethylethyl)thiourea
Molecular weight
384.578
clogP
6.203
clogS
-6.642
HBond Acceptor
2
HBond Donor
2
Total Polar Surface Area
72.42
Number of Rings
2
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00241 | 2-methylpropan-2-amine |
|
CC(N)(C)C | 0.0076 |
| FDBF04851 | (1Z)-N-phenylmethanimidothioic acid |
|
c1c(cccc1)NC=S | 0.0003 |
6 ,
1
