| CAS Number | 41040-89-5 |
| Catalog Number | AG01A4CI(AGN-PC-0RPT7Z) |
| Chemical Name | 1-(1,3-thiazol-4-yl)ethan-1-ol |
| IUPAC Name | 1-(1,3-thiazol-4-yl)ethanol |
| InChI | InChI=1S/C5H7NOS/c1-4(7)5-2-8-3-6-5/h2-4,7H,1H3 |
| InChI Key | DYKKXJKGYIHJGV-UHFFFAOYSA-N |
| MDL Number | MFCD13184167 |
| Molecular Formula | C5H7NOS |
| Molecular Weight | 129.1802 |
| SMILES | CC(C1N=CSC=1)O |
| Synonyms | 1-(1,3-thiazol-4-yl)ethan-1-ol,
41040-89-5,
4-Thiazolemethanol, alpha-methyl-,
SCHEMBL2076528,
AKOS013869996,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.177g/mol |
| Monoisotopic Mass | 129.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number