| CAS Number | 2059937-86-7 |
| Catalog Number | AG01BVFQ |
| Chemical Name | tert-butyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-(2-hydroxyethylsulfanylmethyl)azetidine-1-carboxylate |
| InChI | InChI=1S/C11H21NO3S/c1-11(2,3)15-10(14)12-6-9(7-12)8-16-5-4-13/h9,13H,4-8H2,1-3H3 |
| InChI Key | NSNLJIYJIIFTHC-UHFFFAOYSA-N |
| MDL Number | MFCD30497581 |
| Molecular Formula | C11H21NO3S |
| Molecular Weight | 247.3543 |
| SMILES | CC(OC(N1CC(CSCCO)C1)=O)(C)C |
| Synonyms | tert-butyl 3-{[(2-hydroxyethyl)sulfanyl]methyl}azetidine-1-carboxylate,
2059937-86-7,
ZINC536948715,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.353g/mol |
| Monoisotopic Mass | 247.124g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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