| CAS Number | 2060052-63-1 |
| Catalog Number | AG01C02D |
| Chemical Name | 3-(methylsulfanyl)cyclobutan-1-one |
| IUPAC Name | 3-methylsulfanylcyclobutan-1-one |
| InChI | InChI=1S/C5H8OS/c1-7-5-2-4(6)3-5/h5H,2-3H2,1H3 |
| InChI Key | GOFXGJOFKPLZAF-UHFFFAOYSA-N |
| MDL Number | MFCD30497787 |
| Molecular Formula | C5H8OS |
| Molecular Weight | 116.1814 |
| SMILES | CSC1CC(=O)C1 |
| Synonyms | 3-(methylsulfanyl)cyclobutan-1-one,
2060052-63-1,
ZINC536953020,
|
| Complexity | 82.1 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number