| Pubchem ID | 2723790 |
|---|---|
| CAS | 62-56-6 |
| IUPAC name | thiourea |
| Synonyms | Thiocarbamide|Isothiourea|2-Thiourea|Pseudothiourea|Sulourea|Thiuronium|2-Thiopseudourea|Sulfourea|Thiocarbonic acid diamide|Urea, thio-|beta-Thiopseudourea|Thiomocovina|Carbamimidothioic acid |
| Categories | Antimicrobial agent |
| SMILES | C(=S)(N)N |
| InCheykey | InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) |
| Natural | nan |
| E No. | - |
| GHS Siginal | - |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 76.117 | 2 | 1 | 0 | 84.1 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Good Absorption | Too Soluble | Weaker / Non binder | Low | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Non-Degradable |