| CAS Number | 98288-49-4 |
| Catalog Number | AG00J2CG(AGN-PC-00N3UL) |
| Chemical Name | 2-(Isopropylsulfonyl)ethanol hydrate |
| IUPAC Name | 2-propan-2-ylsulfonylethanol |
| InChI | InChI=1S/C5H12O3S/c1-5(2)9(7,8)4-3-6/h5-6H,3-4H2,1-2H3 |
| InChI Key | WXNMEPBMNZFWCC-UHFFFAOYSA-N |
| MDL Number | MFCD11916052 |
| Molecular Formula | C5H12O3S |
| Molecular Weight | 152.2120 |
| SMILES | S(C(C)C)(=O)(=O)CCO |
| Synonyms | 2-(ISOPROPYLSULFONYL)ETHANOL,
98288-49-4,
SCHEMBL3116195,
ALBB-013212,
MFCD11916052,
ZINC32005708,
AKOS005173833,
MCULE-3223755662,
AJ-84517,
AB0233883,
FT-0683159,
Y-6926,
ethanol, 2-[(1-methylethyl)sulfonyl]-, hydrate,
2-(Isopropylsulfonyl)ethanol hydrate,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.208g/mol |
| Monoisotopic Mass | 152.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number