3,4-Dimethylthiophene Details
: IUPAC Name
NA
:Chemical Class
Alkene
:CAS Registry Number
632-15-5
:Description
:Fragrance Type
onion aroma??????
Physical and Chemical properties
PUBCHEM ID | 79089 |
Molecular Weight (mg/mol) | 112.196 |
Molecular Formula | C6H8S |
Hydrogen Bond Donor Count | NA |
Hydrogen Bond Acceptor Count | NA |
Rotatable Bond Count | NA |
IUPAC Name | |
Canonical SMILES | Cc1cscc1C |
PUBCHEM IUPAC INCHIKEY | GPSFYJDZKSRMKZ-UHFFFAOYSA-N |
Solubility Level | 3 |
Vapour Pressure | |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | NA |
BBB Level | 1 |
Absorption Level | 1 |
EXT PPB#Prediction | 0 |
AlogP98 | 2.099 |
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 | Mutagen |
Developmental / Reproductive Toxicity | Non-Toxic |
Rat Oral LD50 | 0.442685 |
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 |
632-15-5 |
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Plant Variety and Essential oils