| CAS Number | 50382-43-9 |
| Catalog Number | AG01B19C(AGN-PC-0WOILM) |
| Chemical Name | 2-Amino-2-(4-methyl-1,3-thiazol-5-yl)acetic acid |
| IUPAC Name | 2-amino-2-(4-methyl-1,3-thiazol-5-yl)acetic acid |
| InChI | InChI=1S/C6H8N2O2S/c1-3-5(11-2-8-3)4(7)6(9)10/h2,4H,7H2,1H3,(H,9,10) |
| InChI Key | HEZKOJWSXGFURN-UHFFFAOYSA-N |
| MDL Number | MFCD20488188 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | CC1=C(C(C(O)=O)N)SC=N1 |
| Synonyms | 50382-43-9,
2-amino-2-(4-methyl-1,3-thiazol-5-yl)acetic acid,
2-Amino-2-(4-methyl-5-thiazolyl)acetic Acid,
5-Thiazoleacetic acid, alpha-amino-4-methyl-,
SCHEMBL11368864,
AKOS022710503,
MCULE-5986966626,
NE44004,
SY044860,
MFCD20488188 (95%),
Z1809367528,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.202g/mol |
| Monoisotopic Mass | 172.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.2 |
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Certificate of Analysis
Lot Number