Common name
carbon disulfide
IUPAC name
carbon disulfide
SMILES
C(=S)=S
Common name
carbon disulfide
IUPAC name
carbon disulfide
SMILES
C(=S)=S
INCHI
InChI=1S/CS2/c2-1-3
FORMULA
CS2
Common name
carbon disulfide
IUPAC name
carbon disulfide
Molecular weight
76.141
clogP
3.000
clogS
-0.007
Frequency
0.0007
HBond Acceptor
0
HBond Donor
2
Total PolarSurface Area
38.8
Number of Rings
0
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01937 | carbon disulfide |
|
Insecticide | Insecticide |
| FDBD03120 | carbon disulfide |
|
Fungicide | Fungicide |
2 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4ega_ligand_1_2.mol2 | 4ega | 0.4 | -5.61 | S(C)C | 3 |
| 4eg4_ligand_1_2.mol2 | 4eg4 | 0.4 | -5.60 | CSC | 3 |
| 4eg6_ligand_1_2.mol2 | 4eg6 | 0.4 | -5.60 | CSC | 3 |
| 4eg7_ligand_1_2.mol2 | 4eg7 | 0.4 | -5.59 | S(C)C | 3 |
| 4eg5_ligand_1_2.mol2 | 4eg5 | 0.4 | -5.58 | S(C)C | 3 |
| 3chg_ligand_frag_1.mol2 | 3chg | 0.4 | -5.57 | S(C)C | 3 |
| 1pfy_ligand_1_3.mol2 | 1pfy | 0.4 | -5.55 | CSC | 3 |
| 1pg2_ligand_1_2.mol2 | 1pg2 | 0.4 | -5.54 | CSC | 3 |
| 3f3d_ligand_1_2.mol2 | 3f3d | 0.4 | -5.53 | CSC | 3 |
| 4gbd_ligand_1_2.mol2 | 4gbd | 0.4 | -5.52 | S(C)C | 3 |
179 ,
18
