IUPAC name
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
butylate
IUPAC name
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
INCHI
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
FORMULA
C11H23NOS
Common name
butylate
IUPAC name
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
Molecular weight
217.371
clogP
2.272
clogS
-2.531
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
45.61
Number of Rings
0
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF03967 | N-isobutylformamide |
|
O=CNCC(C)C | 0.0017 |
| FDBF05825 | methyl(2-methylpropyl)carbamothioic S-acid |
|
CN(CC(C)C)C(=O)S | 0.0003 |
| FDBF06075 | dimethylcarbamothioic S-acid |
|
CN(C)C(=O)S | 0.0014 |
| FDBF06076 | S-ethyl N-methylcarbamothioate |
|
C(C)SC(=O)NC | 0.0010 |
| FDBF06078 | S-ethyl N,N-dimethylcarbamothioate |
|
C(C)SC(=O)N(C)C | 0.0007 |
7 ,
1
