2,5-Dimethyl-3,4-dithiahexane Details
: IUPAC Name
Diisopropyldisulfide
:Chemical Class
Alkane
:CAS Registry Number
4253-89-8
:Description
:Fragrance Type
oniony
Physical and Chemical properties
PUBCHEM ID | 77932 |
Molecular Weight (mg/mol) | 150.31 |
Molecular Formula | C6H14S2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
IUPAC Name | Diisopropyldisulfide |
Canonical SMILES | CC(C)SSC(C)C |
PUBCHEM IUPAC INCHIKEY | LZAZXBXPKRULLB-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | 0.25 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | 17.07 |
BBB Level | 0 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 2.838 |
EXT CYP2D6#Prediction | 0 |
Toxicological Information
Mouse Female FDA | Multi-Carcinogen |
Mouse Male FDA | Multi-Carcinogen |
Rat Female FDA | Multi-Carcinogen |
Rat Male FDA | Multi-Carcinogen |
Ames Prediction | Non-Mutagen |
Developmental / Reproductive Toxicity | Toxic |
Rat Oral LD50 | 0.624161 |
Ocular Irritancy | Moderate |
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 |
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1 |
4253-89-8 |
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2 |
4253-89-8 |
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