| Pubchem ID | 15510 |
|---|---|
| CAS | 1679-07-8 |
| IUPAC name | cyclopentanethiol |
| Synonyms | Cyclopentyl mercaptan|Mercaptocyclopentane|Cyclopentylthiol|FEMA No. 3262 |
| Categories | Flavor enhancer |
| SMILES | C1CCC(C1)S |
| InCheykey | InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2 |
| Natural | YES |
| E No. | - |
| GHS Siginal | Warning |
| ADI Value | - |
Physicochemical Properties
| Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
|---|---|---|---|---|
| 102.195 | 1 | 1 | 0 | 1.0 |
ADME Predicted Parameters
| Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
|---|---|---|---|---|---|
| Moderate Absorption | Slightly Soluble | Weaker / Non binder | High | Non - Inhibitor | Toxic |
Toxicity Predicted Parameters
| Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
|---|---|---|---|---|---|---|
| Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |