| CAS Number | 1283341-02-5 |
| Catalog Number | AG00J2J4(AGN-PC-0WB5Z9) |
| Chemical Name | 2-methyl-5-(3-methyl-5-isoxazolyl)-3-thiophenesulfonyl chloride |
| IUPAC Name | 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C9H8ClNO3S2/c1-5-3-7(14-11-5)8-4-9(6(2)15-8)16(10,12)13/h3-4H,1-2H3 |
| InChI Key | RKMYNUROVBYJJM-UHFFFAOYSA-N |
| MDL Number | MFCD15729936 |
| Molecular Formula | C9H8ClNO3S2 |
| Molecular Weight | 277.7477 |
| SMILES | C1(=C(C)SC(C2=CC(=NO2)C)=C1)S(Cl)(=O)=O |
| Synonyms | 1283341-02-5,
2-methyl-5-(3-methyl-5-isoxazolyl)-3-thiophenesulfonyl chloride,
2-Methyl-5-(3-methylisoxazol-5-yl)thiophene-3-sulfonyl chloride,
ZX-CM009835,
MFCD15729936,
AKOS015935536,
ZINC100104841,
Y-7620,
|
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number