Diallyl trisulfide Details
:
IUPAC Name
3-(prop-2-enyltrisulfanyl)prop-1-ene
:Chemical Class
:CAS Registry Number
2050-87-5
:Description
:Fragrance Type
pungent
Physical and Chemical properties
| PUBCHEM ID | 16315 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 178.3386 |
| Molecular Formula | C6H10S3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 6 |
| IUPAC Name | 3-(prop-2-enyltrisulfanyl)prop-1-ene |
| Canonical SMILES | C=CCSSSCC=C |
| PUBCHEM IUPAC INCHIKEY | UBAXRAHSPKWNCX-UHFFFAOYSA-N |
| Solubility Level | |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | |
| CACTVS TPSA | |
| BBB Level | |
| Absorption Level | |
| EXT PPB#Prediction | |
| AlogP98 | |
| EXT CYP2D6#Prediction |
Toxicological Information
| Mouse Female FDA | |
| Mouse Male FDA | |
| Rat Female FDA | |
| Rat Male FDA | |
| Ames Prediction | |
| Developmental / Reproductive Toxicity | |
| Rat Oral LD50 | |
| Ocular Irritancy | |
| Hepatotoxic#Prediction | |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Garlic | Allium sativum essential oil | ||
| 2 | Welsh onion | Allium fistulosum essential oil |
Compound Image
2D Structure
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