| CAS Number | 1049701-33-8 |
| Catalog Number | AG01B65U |
| Chemical Name | 2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide |
| IUPAC Name | 2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic acid;hydrobromide |
| InChI | InChI=1S/C10H9NO2S2.BrH/c1-6-11-10(7-3-2-4-14-7)8(15-6)5-9(12)13;/h2-4H,5H2,1H3,(H,12,13);1H |
| InChI Key | JHRFKQFJEGSBED-UHFFFAOYSA-N |
| MDL Number | MFCD06626232 |
| Molecular Formula | C10H10BrNO2S2 |
| Molecular Weight | 320.2259 |
| SMILES | Br.CC1SC(CC(O)=O)=C(C2SC=CC=2)N=1 |
| Synonyms | 2-[2-methyl-4-(thiophen-2-yl)-1,3-thiazol-5-yl]acetic acid hydrobromide,
1049701-33-8,
AC1MH9SM,
2-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetic Acid Hydrobromide,
MCULE-9964549709,
SR-01000294486,
SR-01000294486-1,
Z2568758105,
CID2973709,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.934g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.219g/mol |
| Monoisotopic Mass | 318.934g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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