IUPAC name
S-(phenylmethyl) N-(1,2-dimethylpropyl)-N-ethylcarbamothioate
SMILES
CCN(C(C)C(C)C)C(=O)SCc1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
esprocarb
IUPAC name
S-(phenylmethyl) N-(1,2-dimethylpropyl)-N-ethylcarbamothioate
SMILES
CCN(C(C)C(C)C)C(=O)SCc1ccccc1
INCHI
InChI=1S/C15H23NOS/c1-5-16(13(4)12(2)3)15(17)18-11-14-9-7-6-8-10-14/h6-10,12-13H,5,11H2,1-4H3
FORMULA
C15H23NOS
Common name
esprocarb
IUPAC name
S-(phenylmethyl) N-(1,2-dimethylpropyl)-N-ethylcarbamothioate
Molecular weight
265.414
clogP
3.317
clogS
-3.493
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
45.61
Number of Rings
1
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00115 | 2-methylbutane |
|
C(C)(C)CC | 0.0103 |
| FDBF06083 | diethylcarbamothioic S-acid |
|
N(C(=O)S)(CC)CC | 0.0024 |
| FDBF06084 | S-methyl N-ethylcarbamothioate |
|
N(C(=O)SC)CC | 0.0021 |
| FDBF06085 | S-methyl N-[(2S)-3-methylbutan-2-yl]carbamothioate |
|
N(C(=O)SC)[C@H](C(C)C)C | 0.0003 |
7 ,
1
