| CAS Number | 1537687-01-6 |
| Catalog Number | AG01BUO0 |
| Chemical Name | 2-{[(1,3-thiazol-2-yl)methyl]sulfanyl}ethan-1-ol |
| IUPAC Name | 2-(1,3-thiazol-2-ylmethylsulfanyl)ethanol |
| InChI | InChI=1S/C6H9NOS2/c8-2-4-9-5-6-7-1-3-10-6/h1,3,8H,2,4-5H2 |
| InChI Key | WJSPVQPYVCEFON-UHFFFAOYSA-N |
| MDL Number | MFCD23873707 |
| Molecular Formula | C6H9NOS2 |
| Molecular Weight | 175.2718 |
| SMILES | OCCSCC1SC=CN=1 |
| Synonyms | 2-{[(1,3-thiazol-2-yl)methyl]sulfanyl}ethan-1-ol,
1537687-01-6,
ZINC87393458,
AKOS018878450,
2-[(1,3-thiazol-2-ylmethyl)sulfanyl]ethan-1-ol,
|
| Complexity | 91.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.264g/mol |
| Monoisotopic Mass | 175.013g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number