| CAS Number | 1864064-02-7 |
| Catalog Number | AG01AP49 |
| Chemical Name | tert-butyl N-[(3-hydroxy-1-oxo-1lambda4-thiolan-3-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(3-hydroxy-1-oxothiolan-3-yl)methyl]carbamate |
| InChI | InChI=1S/C10H19NO4S/c1-9(2,3)15-8(12)11-6-10(13)4-5-16(14)7-10/h13H,4-7H2,1-3H3,(H,11,12) |
| InChI Key | YGTOAKBGUICAFE-UHFFFAOYSA-N |
| MDL Number | MFCD29034405 |
| Molecular Formula | C10H19NO4S |
| Molecular Weight | 249.3272 |
| SMILES | CC(OC(NCC1(CS(=O)CC1)O)=O)(C)C |
| Synonyms | 1864064-02-7,
tert-Butyl ((3-hydroxy-1-oxidotetrahydrothiophen-3-yl)methyl)carbamate,
tert-butyl N-[(3-hydroxy-1-oxo-1lambda4-thiolan-3-yl)methyl]carbamate,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.325g/mol |
| Monoisotopic Mass | 249.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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