| CAS Number | 1156039-71-2 |
| Catalog Number | AG019IPB |
| Chemical Name | 2-[2-Amino-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide |
| IUPAC Name | 2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid;hydrobromide |
| InChI | InChI=1S/C9H8N2O2S2.BrH/c10-9-11-8(5-2-1-3-14-5)6(15-9)4-7(12)13;/h1-3H,4H2,(H2,10,11)(H,12,13);1H |
| InChI Key | JMEVEIZENHQCCN-UHFFFAOYSA-N |
| MDL Number | MFCD08234359 |
| Molecular Formula | C9H9BrN2O2S2 |
| Molecular Weight | 321.214 |
| SMILES | Br.NC1SC(CC(O)=O)=C(C2SC=CC=2)N=1 |
| Synonyms | 1156039-71-2,
2-[2-amino-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide,
(2-amino-4-thien-2-yl-1,3-thiazol-5-yl)acetic acid hydrobromide,
AC1Q23KX,
CTK7J2659,
AKOS008946337,
NE55618,
EN300-07348,
Z199056504,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 319.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 321.207g/mol |
| Monoisotopic Mass | 319.929g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 133A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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