Tetrahydrothiophene Details
:
IUPAC Name
Thiolane
:Chemical Class
:CAS Registry Number
110-01-0
:Description
Tetrahydrothiophene appears as a water-white liquid. About the same density as water and insoluble in water. Vapors heavier than air. Used as a solvent and to make other chemicals.
:Fragrance Type
Foul odour
Physical and Chemical properties
| PUBCHEM ID | 1127 |
| CAS Registry Number | 110-01-0 |
| Aroma Threshold | |
| Molecular Weight (g/mol) | 88.17 |
| Molecular Formula | C4H8S |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| IUPAC Name | Thiolane |
| Canonical SMILES | C1CCSC1 |
| PUBCHEM IUPAC INCHIKEY | RAOIDOHSFRTOEL-UHFFFAOYSA-N |
| Solubility Level | 4 |
| Vapour Pressure |
Absorption and Metabolism information
| XLOGP3 AA | 1.4 |
| CACTVS TPSA | 25.3 |
| BBB Level | 4 |
| Absorption Level | 1 |
| EXT PPB#Prediction | False |
| AlogP98 | 1.256 |
| EXT CYP2D6#Prediction | False |
Toxicological Information
| Mouse Female FDA | Multi-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Multi-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 1.61839 |
| Ocular Irritancy | Moderate |
| Hepatotoxic#Prediction | True |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
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Compound Image
2D Structure
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