IUPAC name
S-(phenylmethyl) N,N-bis(1-methylpropyl)carbamothioate
SMILES
CCC(C)N(C(C)CC)C(=O)SCc1ccccc1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
tiocarbazil
IUPAC name
S-(phenylmethyl) N,N-bis(1-methylpropyl)carbamothioate
SMILES
CCC(C)N(C(C)CC)C(=O)SCc1ccccc1
INCHI
InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3
FORMULA
C16H25NOS
Common name
tiocarbazil
IUPAC name
S-(phenylmethyl) N,N-bis(1-methylpropyl)carbamothioate
Molecular weight
279.441
clogP
3.723
clogS
-3.894
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 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF06083 | diethylcarbamothioic S-acid |
|
N(C(=O)S)(CC)CC | 0.0024 |
| FDBF06084 | S-methyl N-ethylcarbamothioate |
|
N(C(=O)SC)CC | 0.0021 |
| FDBF06596 | S-methyl N-[(2S)-butan-2-yl]carbamothioate |
|
C(C)[C@@H](NC(=O)SC)C | 0.0003 |
| FDBF06597 | S-methyl N-[(2R)-butan-2-yl]carbamothioate |
|
CSC(=O)N[C@@H](CC)C | 0.0003 |
7 ,
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