4,5-Dimethylthiazole Details
: IUPAC Name
:Chemical Class
:CAS Registry Number
3581-91-7
:Description
:Fragrance Type
NA
Physical and Chemical properties
PUBCHEM ID | 62510 |
Molecular Weight (mg/mol) | 113.184 |
Molecular Formula | C5H7NS |
Hydrogen Bond Donor Count | NA |
Hydrogen Bond Acceptor Count | NA |
Rotatable Bond Count | NA |
IUPAC Name | |
Canonical SMILES | Cc1ncsc1C |
PUBCHEM IUPAC INCHIKEY | UWSONZCNXUSTKW-UHFFFAOYSA-N |
Solubility Level | 4 |
Vapour Pressure | 0.036 |
Absorption and Metabolism information
XLOGP3 AA | NA |
CACTVS TPSA | NA |
BBB Level | 2 |
Absorption Level | 1 |
EXT PPB#Prediction | 0 |
AlogP98 | 1.064 |
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 | 1.41362 |
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 |
3581-91-7 |
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