| CAS Number | 1512355-92-8 |
| Catalog Number | AG01E904 |
| Chemical Name | 1-(thietan-3-yl)ethan-1-one |
| IUPAC Name | 1-(thietan-3-yl)ethanone |
| InChI | InChI=1S/C5H8OS/c1-4(6)5-2-7-3-5/h5H,2-3H2,1H3 |
| InChI Key | QSEHMCGCEPARCB-UHFFFAOYSA-N |
| MDL Number | MFCD30539727 |
| Molecular Formula | C5H8OS |
| Molecular Weight | 116.1814 |
| SMILES | CC(C1CSC1)=O |
| Synonyms | 1-(Thietan-3-yl)ethan-1-one,
ZINC82835659,
AKOS022902627,
1512355-92-8,
|
| Complexity | 86.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.178g/mol |
| Monoisotopic Mass | 116.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number