Common name
methylimino(sulfanylidene)methane
IUPAC name
methylimino(sulfanylidene)methane
SMILES
CN=C=S
Common name
methylimino(sulfanylidene)methane
IUPAC name
methylimino(sulfanylidene)methane
SMILES
CN=C=S
INCHI
InChI=1S/C2H3NS/c1-3-2-4/h1H3
FORMULA
C2H3NS
Common name
methylimino(sulfanylidene)methane
IUPAC name
methylimino(sulfanylidene)methane
Molecular weight
73.117
clogP
1.757
clogS
-0.327
Frequency
0.0007
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
44.45
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02875 | methyl isothiocyanate |
|
Herbicide | Herbicide |
| FDBD03254 | methyl isothiocyanate |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2yiv_ligand_1_0.mol2 | 2yiv | 0.428571 | -5.15 | C=NC | 3 |
| 2gzl_ligand_frag_0.mol2 | 2gzl | 0.428571 | -5.09 | C=NC | 3 |
| 5er1_ligand_1_13.mol2 | 5er1 | 0.428571 | -5.07 | C[NH]=C | 3 |
| 1okl_ligand_frag_1.mol2 | 1okl | 0.428571 | -4.93 | N(=C)C | 3 |
| 4mhy_ligand_1_2.mol2 | 4mhy | 0.4 | -5.31 | C/N=C/S | 4 |
104 ,
11
