| CAS Number | 1343171-46-9 |
| Catalog Number | AG00HTAL(AGN-PC-0WQWU0) |
| Chemical Name | 5-Methanesulfonyl-4H,6H,7H-thieno[3,2-c]pyridine |
| IUPAC Name | 5-methylsulfonyl-6,7-dihydro-4H-thieno[3,2-c]pyridine |
| InChI | InChI=1S/C8H11NO2S2/c1-13(10,11)9-4-2-8-7(6-9)3-5-12-8/h3,5H,2,4,6H2,1H3 |
| InChI Key | QDNRLZDNMCFZOI-UHFFFAOYSA-N |
| MDL Number | MFCD17894622 |
| Molecular Formula | C8H11NO2S2 |
| Molecular Weight | 217.3084 |
| SMILES | CS(=O)(=O)N1CCc2c(C1)ccs2 |
| Synonyms | 1343171-46-9,
5-METHANESULFONYL-4H,6H,7H-THIENO[3,2-C]PYRIDINE,
5-(Methylsulfonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine,
ZINC48442087,
AKOS009110670,
MCULE-6929053555,
5-methanesulfonyl-4H,5H,6H,7H-thieno[3,2-c]pyridine,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.301g/mol |
| Monoisotopic Mass | 217.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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