| CAS Number | 635283-90-8 |
| Catalog Number | AG01FL3F(AGN-PC-0CIZXL) |
| Chemical Name | 2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-methylsulfanyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C5H5NO2S2/c1-9-5-6-2-3(10-5)4(7)8/h2H,1H3,(H,7,8) |
| InChI Key | BWCOHLFKFURXKL-UHFFFAOYSA-N |
| MDL Number | MFCD22066462 |
| Molecular Formula | C5H5NO2S2 |
| Molecular Weight | 175.2287 |
| SMILES | CSc1ncc(s1)C(=O)O |
| Synonyms | 635283-90-8,
5-Thiazolecarboxylic acid, 2-(methylthio)-,
SCHEMBL12715496,
CTK1I6577,
DTXSID50729693,
2-(Methylsulfanyl)-1,3-thiazole-5-carboxylic acid,
2-(methylthio)thiazole-5-carboxylic acid,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.22g/mol |
| Monoisotopic Mass | 174.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number