| CAS Number | 89791-51-5 |
| Catalog Number | AG00J2M7(AGN-PC-0WB621) |
| Chemical Name | 2-(1,1-Dioxidotetrahydro-3-thienyl)ethanol |
| IUPAC Name | 2-(1,1-dioxothiolan-3-yl)ethanol |
| InChI | InChI=1S/C6H12O3S/c7-3-1-6-2-4-10(8,9)5-6/h6-7H,1-5H2 |
| InChI Key | VTZBGOGKRKZJJY-UHFFFAOYSA-N |
| MDL Number | MFCD11099935 |
| Molecular Formula | C6H12O3S |
| Molecular Weight | 164.2227 |
| SMILES | S1(CCC(CCO)C1)(=O)=O |
| Synonyms | 2-(1,1-dioxidotetrahydro-3-thienyl)ethanol,
89791-51-5,
2-(1,1-dioxidotetrahydrothien-3-yl)ethanol,
AC1Q7CLQ,
SCHEMBL5468894,
CTK8A3917,
MFCD11099935,
AKOS005260151,
3-(2-hydroxyethyl)-1??-thiolane-1,1-dione,
EN300-88500,
Y-6634,
3-(2-hydroxyethyl)-1lambda-thiolane-1,1-dione,
F8885-1841,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.219g/mol |
| Monoisotopic Mass | 164.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number