| CAS Number | 1202769-70-7 |
| Catalog Number | AG01DHRD(AGN-PC-0WG4D4) |
| Chemical Name | (S)-2-(Thiazol-2-YL)but-3-YN-2-OL |
| IUPAC Name | (2S)-2-(1,3-thiazol-2-yl)but-3-yn-2-ol |
| InChI | InChI=1S/C7H7NOS/c1-3-7(2,9)6-8-4-5-10-6/h1,4-5,9H,2H3/t7-/m0/s1 |
| InChI Key | JJCFOOAPKUJAIV-ZETCQYMHSA-N |
| MDL Number | MFCD30472072 |
| Molecular Formula | C7H7NOS |
| Molecular Weight | 153.2016 |
| SMILES | O[C@@](C)(C#C)C1=NC=CS1 |
| Synonyms | (S)-2-(THIAZOL-2-YL)BUT-3-YN-2-OL,
1202769-70-7,
SCHEMBL11971318,
JJCFOOAPKUJAIV-ZETCQYMHSA-N,
MFCD30472072,
AKOS030628222,
ZINC116666994,
(2S)-2-(1,3-thiazol-2-yl)but-3-yn-2-ol,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.199g/mol |
| Monoisotopic Mass | 153.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number