| CAS Number | 1008571-93-4 |
| Catalog Number | AG019IMB |
| Chemical Name | 1-[(5-Bromothien-2-yl)sulfonyl]piperidine-2-carboxylic acid |
| IUPAC Name | 1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic acid |
| InChI | InChI=1S/C10H12BrNO4S2/c11-8-4-5-9(17-8)18(15,16)12-6-2-1-3-7(12)10(13)14/h4-5,7H,1-3,6H2,(H,13,14) |
| InChI Key | MRICABAPAXKYHG-UHFFFAOYSA-N |
| MDL Number | MFCD03230886 |
| Molecular Formula | C10H12BrNO4S2 |
| Molecular Weight | 354.2406 |
| SMILES | OC(C1N(S(C2SC(Br)=CC=2)(=O)=O)CCCC1)=O |
| Synonyms | 1-[(5-bromothiophen-2-yl)sulfonyl]piperidine-2-carboxylic acid,
1008571-93-4,
1-(5-bromothiophene-2-sulfonyl)piperidine-2-carboxylic acid,
1-((5-bromothiophen-2-yl)sulfonyl)piperidine-2-carboxylic acid,
1-[(5-bromo-2-thienyl)sulfonyl]piperidine-2-carboxylic acid,
AC1MNAJ8,
AC1Q74H4,
CTK7I9279,
1-(5-bromothiophen-2-yl)sulfonylpiperidine-2-carboxylic Acid,
SBB039070,
AKOS000267405,
AKOS016039027,
MCULE-5946275004,
NE20909,
ST50056024,
EN300-57237,
SR-01000055139,
SR-01000055139-1,
Z45547182,
CID3300354,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.233g/mol |
| Monoisotopic Mass | 352.939g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number