IUPAC name
N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-N,N
SMILES
CCCCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
buthiuron
IUPAC name
N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-N,N
SMILES
CCCCS(=O)(=O)c1nnc(N(C)C(=O)NC)s1
INCHI
InChI=1S/C9H16N4O3S2/c1-4-5-6-18(15,16)9-12-11-8(17-9)13(3)7(14)10-2/h4-6H2,1-3H3,(H,10,14)
FORMULA
C9H16N4O3S2
Common name
buthiuron
IUPAC name
N-[5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl]-N,N
Molecular weight
292.378
clogP
1.134
clogS
-2.071
HBond Acceptor
7
HBond Donor
1
Total Polar Surface Area
123.99
Number of Rings
1
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF00283 | BLAH |
|
S(=O)O | 0.0244 |
| FDBF00317 | (dihydroxy-λ3-sulfanyl)methane |
|
C[S](O)O | 0.0141 |
| FDBF00322 | (dihydroxy-λ3-sulfanyl)ethane |
|
C(C)[S](O)O | 0.0055 |
| FDBF00548 | 1,3-dimethylurea |
|
O=C(NC)NC | 0.0027 |
| FDBF01770 | 1-(dihydroxy-λ3-sulfanyl)butane |
|
[S](O)(O)CCCC | 0.0007 |
| FDBF01870 | 1,3,4-thiadiazole |
|
s1cnnc1 | 0.0024 |
8 ,
1
