| CAS Number | 371240-67-4 |
| Catalog Number | AG01BBWO |
| Chemical Name | tert-Butyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-acetylsulfanylpyrrolidine-1-carboxylate |
| InChI | InChI=1S/C11H19NO3S/c1-8(13)16-9-5-6-12(7-9)10(14)15-11(2,3)4/h9H,5-7H2,1-4H3 |
| InChI Key | KYLJPUGKGHFDOL-UHFFFAOYSA-N |
| MDL Number | MFCD24467205 |
| Molecular Formula | C11H19NO3S |
| Molecular Weight | 245.3385 |
| SMILES | C(C)(=O)SC1CN(CC1)C(=O)OC(C)(C)C |
| Synonyms | 371240-67-4,
tert-Butyl 3-(acetylthio)pyrrolidine-1-carboxylate,
tert-butyl 3-(acetylsulfanyl)pyrrolidine-1-carboxylate,
SCHEMBL1335071,
KYLJPUGKGHFDOL-UHFFFAOYSA-N,
(RS)-3-acetylsulfanyl-pyrrolidine-1-carboxylic acid tert-butyl ester,
|
| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.337g/mol |
| Monoisotopic Mass | 245.109g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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