| CAS Number | 1820581-64-3 |
| Catalog Number | AG00I0F0 |
| Chemical Name | (2S)-2-Amino-3-(1,3-benzothiazol-2-yl)propanoic acid hydrochloride |
| IUPAC Name | (2S)-2-amino-3-(1,3-benzothiazol-2-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H10N2O2S.ClH/c11-6(10(13)14)5-9-12-7-3-1-2-4-8(7)15-9;/h1-4,6H,5,11H2,(H,13,14);1H/t6-;/m0./s1 |
| InChI Key | BWLYFKNQAGZYKX-RGMNGODLSA-N |
| MDL Number | MFCD27935901 |
| Molecular Formula | C10H11ClN2O2S |
| Molecular Weight | 258.7245 |
| SMILES | OC(=O)[C@H](Cc1nc2c(s1)cccc2)N.Cl |
| Synonyms | 1820581-64-3,
(2S)-2-AMINO-3-(1,3-BENZOTHIAZOL-2-YL)PROPANOIC ACID HYDROCHLORIDE,
(S)-2-Amino-3-(benzo[d]thiazol-2-yl)propanoic acid hydrochloride,
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| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.72g/mol |
| Monoisotopic Mass | 258.023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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