Benzyl disulfide Details
: IUPAC Name
NA
:Chemical Class
:CAS Registry Number
150-60-7
:Description
:Fragrance Type
caramellic
Physical and Chemical properties
PUBCHEM ID | 9012 |
Molecular Weight (mg/mol) | 246.398 |
Molecular Formula | C14H14S2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 6 |
IUPAC Name | |
Canonical SMILES | c2ccc(CSSCc1ccccc1)cc2 |
PUBCHEM IUPAC INCHIKEY | GVPWHKZIJBODOX-UHFFFAOYSA-N |
Solubility Level | 2 |
Vapour Pressure | |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 20.23 |
BBB Level | 0 |
Absorption Level | 1 |
EXT PPB#Prediction | 1 |
AlogP98 | 4.552 |
EXT CYP2D6#Prediction | 1 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Non-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 0.92403 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | NA |
Ecological Information
Aerobic Biodegradability Prediction | Non-Degradable |
Hazard(s) Identification
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
About Table Headings
Compound Biological Activity
Serial No. | Cas No | Gene Symbol | Organism | Interaction |
Interaction Actions | PubMed Id |
---|
1 |
150-60-7 |
NA |
NA |
NA |
NA |
NA |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|
1 | | |
|
150-60-7 |
Benzyl disulfide |