| CAS Number | 1955515-45-3 |
| Catalog Number | AG01B50Z |
| Chemical Name | 5-Acetyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonyl chloride |
| IUPAC Name | 5-acetyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-sulfonyl chloride |
| InChI | InChI=1S/C9H10ClNO3S2/c1-6(12)11-3-2-8-7(5-11)4-9(15-8)16(10,13)14/h4H,2-3,5H2,1H3 |
| InChI Key | WNRFERWQHZQFDT-UHFFFAOYSA-N |
| MDL Number | MFCD29991869 |
| Molecular Formula | C9H10ClNO3S2 |
| Molecular Weight | 279.7636 |
| SMILES | CC(N1CC2=C(SC(S(Cl)(=O)=O)=C2)CC1)=O |
| Synonyms | 5-acetyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-2-sulfonyl chloride,
1955515-45-3,
ZINC390822051,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.753g/mol |
| Monoisotopic Mass | 278.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 91.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number