PUBCHEM ID | 5362584 |
Molecular Weight (mg/mol) | 143.254 |
Molecular Formula | C7H13NS |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
IUPAC Name | |
Canonical SMILES | CC[C@H]1/N=C(C)[C@@H](C)S1 |
PUBCHEM IUPAC INCHIKEY | CSACPVARWHDAET-RQJHMYQMSA-N |
Solubility Level | 3 |
Vapour Pressure | -0.477 |
XLOGP3 AA | NA |
CACTVS TPSA | 53.6 |
BBB Level | 1 |
Absorption Level | 0 |
EXT PPB#Prediction | 0 |
AlogP98 | 1.753 |
EXT CYP2D6#Prediction | 0 |
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 | Non-Toxic |
Rat Oral LD50 | 0.400349 |
Ocular Irritancy | Mild |
Hepatotoxic#Prediction | 1 |
Effected Human Genes | NA |
Aerobic Biodegradability Prediction | Non-Degradable |
Physical hazards | not classified |
Health hazards | Mild |
Environmental hazards | not classified |
Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
---|---|---|---|---|---|---|
1 |
Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
---|---|---|---|---|---|
1 | 4,5-Dimethyl-2-ethyl-3-thiazoline |