Pubchem ID | 10452 |
---|---|
CAS | 505-29-3 |
IUPAC name | 1,4-dithiane |
Synonyms | 1,4-Dithiacyclohexane|Diethylene disulfide|p-Dithane|p-Dithiin, tetrahydro-|para-Dithiane|1,4-Dithiin, tetrahydro-|1,4-dithian|[1,4]dithiane |
Categories | Flavor enhancer |
SMILES | C1CSCCS1 |
InCheykey | InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | - |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
120.228 | 0 | 2 | 0 | 50.6 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Moderate Absorption | Optimal Solubility | Weaker / Non binder | Undefined | Non - Inhibitor | Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Non-Toxic | Non-Mutagen | Irritant | Non-Irritant | Irritant | Degradable |