Common name
(1E)-N-methylmethanimidothioic acid
IUPAC name
(1E)-N-methylmethanimidothioic acid
SMILES
C(=N\C)/S
Common name
(1E)-N-methylmethanimidothioic acid
IUPAC name
(1E)-N-methylmethanimidothioic acid
SMILES
C(=N\C)/S
INCHI
InChI=1S/C2H5NS/c1-3-2-4/h2H,1H3,(H,3,4)
FORMULA
C2H5NS
Common name
(1E)-N-methylmethanimidothioic acid
IUPAC name
(1E)-N-methylmethanimidothioic acid
Molecular weight
75.133
clogP
0.737
clogS
-0.339
Frequency
0.0024
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
51.16
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02554 | metam |
|
Herbicide | Herbicide |
| FDBD03082 | cuprobam |
|
Fungicide | Fungicide |
| FDBD03105 | amobam |
|
Fungicide | Fungicide |
| FDBD03109 | ferbam |
|
Fungicide | Fungicide |
| FDBD03110 | metam |
|
Fungicide | Fungicide |
| FDBD03111 | nabam |
|
Fungicide | Fungicide |
| FDBD03114 | ziram |
|
Fungicide | Fungicide |
7 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4mhy_ligand_1_2.mol2 | 4mhy | 1 | -5.31 | C/N=C/S | 4 |
| 4fbe_ligand_1_2.mol2 | 4fbe | 1 | -5.26 | C/N=C\S | 4 |
| 4osf_ligand_1_2.mol2 | 4osf | 1 | -5.22 | C/N=C\S | 4 |
| 4f9u_ligand_1_2.mol2 | 4f9u | 1 | -5.20 | C/N=C\S | 4 |
| 4mhy_ligand_2_1.mol2 | 4mhy | 0.636364 | -5.64 | CC/N=C/S | 5 |
| 4fbe_ligand_2_1.mol2 | 4fbe | 0.636364 | -5.61 | C(C)/N=C\S | 5 |
| 4osf_ligand_2_2.mol2 | 4osf | 0.636364 | -5.55 | CC/N=C\S | 5 |
274 ,
28
