| CAS Number | 104863-49-2 |
| Catalog Number | AG009SWP(AGN-PC-0OTXZO) |
| Chemical Name | 2-Thiazolemethanol, alpha-methyl-, (alphaS)- (9CI) |
| IUPAC Name | (1S)-1-(1,3-thiazol-2-yl)ethanol |
| InChI | InChI=1S/C5H7NOS/c1-4(7)5-6-2-3-8-5/h2-4,7H,1H3/t4-/m0/s1 |
| InChI Key | YTYLXXDUJXUJJJ-BYPYZUCNSA-N |
| MDL Number | MFCD13184144 |
| Molecular Formula | C5H7NOS |
| Molecular Weight | 129.1802 |
| SMILES | S1C(=NC=C1)[C@H](C)O |
| Synonyms | (1S)-1-(1,3-thiazol-2-yl)ethan-1-ol,
104863-49-2,
(S)-1-(2-Thiazolyl)ethanol,
2-Thiazolemethanol, alpha-methyl-, (alphaS)- (9CI),
SCHEMBL19267359,
ZINC34060363,
AKOS013325207,
NE22381,
AJ-86699,
EN300-75815,
1-(1,3-thiazol-2-yl)ethanol,
CID10796762,
|
| Complexity | 78.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number