IUPAC name
2-cyanoethyl N-[[(methylamino)carbonyl]oxy]ethanimidothioate
SMILES
C/C(=NOC(=O)NC)/SCCC#N
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
thiocarboxime
IUPAC name
2-cyanoethyl N-[[(methylamino)carbonyl]oxy]ethanimidothioate
SMILES
C/C(=NOC(=O)NC)/SCCC#N
INCHI
InChI=1S/C7H11N3O2S/c1-6(13-5-3-4-8)10-12-7(11)9-2/h3,5H2,1-2H3,(H,9,11)
FORMULA
C7H11N3O2S
Common name
thiocarboxime
IUPAC name
2-cyanoethyl N-[[(methylamino)carbonyl]oxy]ethanimidothioate
Molecular weight
201.246
clogP
1.042
clogS
-1.019
HBond Acceptor
5
HBond Donor
1
Total Polar
Surface Area
103.27
Number of Rings
0
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00569 | acetonitrile |
|
CC#N | 0.0161 |
| FDBF01127 | methylcarbamic acid |
|
O=C(O)NC | 0.0199 |
| FDBF01513 | propanenitrile |
|
C(C#N)C | 0.0048 |
| FDBF04702 | [(Z)-ethylideneamino] N-methylcarbamate |
|
C/C=N\OC(=O)NC | 0.0017 |
| FDBF04706 | ethanimine |
|
CC=N | 0.0024 |
| FDBF05258 | methyl ethanimidothioate |
|
S(C)C(=N)C | 0.0014 |
| FDBF05522 | ethanethioamide |
|
S=C(C)N | 0.0007 |
7 ,
1
