IUPAC name
S-(phenylmethyl) N,N-dipropylcarbamothioate
SMILES
CCCN(CCC)C(=O)SCc1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
prosulfocarb
IUPAC name
S-(phenylmethyl) N,N-dipropylcarbamothioate
SMILES
CCCN(CCC)C(=O)SCc1ccccc1
INCHI
InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
FORMULA
C14H21NOS
Common name
prosulfocarb
IUPAC name
S-(phenylmethyl) N,N-dipropylcarbamothioate
Molecular weight
251.388
clogP
3.257
clogS
-3.839
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
45.61
Number of Rings
1
Rotatable Bond
8
| 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 |
| FDBF06075 | dimethylcarbamothioic S-acid |
|
CN(C)C(=O)S | 0.0014 |
| FDBF06077 | methyl(propyl)carbamothioic S-acid |
|
C(CC)N(C)C(=O)S | 0.0010 |
| FDBF06370 | S-methyl N-methylcarbamothioate |
|
N(C(=O)SC)C | 0.0010 |
| FDBF06443 | S-methyl N,N-dimethylcarbamothioate |
|
CN(C(=O)SC)C | 0.0007 |
| FDBF06444 | S-benzyl N-methylcarbamothioate |
|
N(C(=O)SCc1ccccc1)C | 0.0003 |
| FDBF06445 | S-methyl N-propylcarbamothioate |
|
C(NC(=O)SC)CC | 0.0007 |
9 ,
1
