| CAS Number | 86537-30-6 |
| Catalog Number | AG01E8V0(AGN-PC-0NKTUP) |
| Chemical Name | 1-(4-methylbenzenesulfonyl)bicyclo[1.1.0]butane |
| IUPAC Name | 1-(4-methylphenyl)sulfonylbicyclo[1.1.0]butane |
| InChI | InChI=1S/C11H12O2S/c1-8-2-4-10(5-3-8)14(12,13)11-6-9(11)7-11/h2-5,9H,6-7H2,1H3 |
| InChI Key | PDNMOVXVLOFEBV-UHFFFAOYSA-N |
| MDL Number | MFCD30619550 |
| Molecular Formula | C11H12O2S |
| Molecular Weight | 208.2768 |
| SMILES | O=S(C1=CC=C(C)C=C1)(C23CC2C3)=O |
| Synonyms | SCHEMBL11789732,
ZINC34734018,
86537-30-6,
1-(p-Toluenesulfonyl)bicyclo[1.1.0]butane,
1-(4-methylbenzenesulfonyl)bicyclo[1.1.0]butane,
1-tosylbicyclo[1.1.0]butane,
|
| Complexity | 338 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.275g/mol |
| Monoisotopic Mass | 208.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number