| CAS Number | 1268334-97-9 |
| Catalog Number | AG00J2JO(AGN-PC-0WB5ZW) |
| Chemical Name | 5-(3,5-dimethyl-4-isoxazolyl)-2-thiophenesulfonyl chloride |
| IUPAC Name | 5-(3,5-dimethyl-1,2-oxazol-4-yl)thiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C9H8ClNO3S2/c1-5-9(6(2)14-11-5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3 |
| InChI Key | HNBKVHRJMPOBKY-UHFFFAOYSA-N |
| MDL Number | MFCD18447687 |
| Molecular Formula | C9H8ClNO3S2 |
| Molecular Weight | 277.7477 |
| SMILES | O=S(C1=CC=C(C2=C(C)ON=C2C)S1)(Cl)=O |
| Synonyms | 5-(3,5-dimethyl-4-isoxazolyl)-2-thiophenesulfonyl chloride,
1268334-97-9,
ZX-CM009878,
MFCD18447687,
AKOS027426274,
ZINC100294210,
Y-7956,
5-(3,5-Dimethylisoxazol-4-yl)thiophene-2-sulfonyl chloride,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.737g/mol |
| Monoisotopic Mass | 276.963g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 96.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number