| CAS Number | 183800-74-0 |
| Catalog Number | AG01AP3E(AGN-PC-01UZAL) |
| Chemical Name | tert-Butyl 3-(acetylsulfanyl)azetidine-1-carboxylate |
| IUPAC Name | tert-butyl 3-acetylsulfanylazetidine-1-carboxylate |
| InChI | InChI=1S/C10H17NO3S/c1-7(12)15-8-5-11(6-8)9(13)14-10(2,3)4/h8H,5-6H2,1-4H3 |
| InChI Key | NCTWTOSRADIIRF-UHFFFAOYSA-N |
| MDL Number | MFCD24465865 |
| Molecular Formula | C10H17NO3S |
| Molecular Weight | 231.3119 |
| SMILES | C(C)(=O)SC1CN(C1)C(=O)OC(C)(C)C |
| Synonyms | 183800-74-0,
tert-Butyl 3-(acetylsulfanyl)azetidine-1-carboxylate,
tert-butyl 3-(acetylthio)azetidine-1-carboxylate,
SCHEMBL1333807,
NCTWTOSRADIIRF-UHFFFAOYSA-N,
MFCD24465865,
ZINC115885371,
CS-0078564,
t-Butyl 3-(acetylthio)azetidine-1-carboxylate,
A1-12901,
tert-butyl 3-(acetylsulfanyl)-1-azetidinecarboxylate,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.31g/mol |
| Monoisotopic Mass | 231.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number