| CAS Number | 1903431-97-9 |
| Catalog Number | AG00J3FN(AGN-PC-0WRAVK) |
| Chemical Name | tert-butyl [cis-4-amino-1,1-dioxidotetrahydro-3-thienyl]carbamate |
| IUPAC Name | tert-butyl N-(4-amino-1,1-dioxothiolan-3-yl)carbamate |
| InChI | InChI=1S/C9H18N2O4S/c1-9(2,3)15-8(12)11-7-5-16(13,14)4-6(7)10/h6-7H,4-5,10H2,1-3H3,(H,11,12) |
| InChI Key | NNDORIZWDLLHLJ-UHFFFAOYSA-N |
| MDL Number | MFCD30492185 |
| Molecular Formula | C9H18N2O4S |
| Molecular Weight | 250.3152 |
| SMILES | S1(=O)(=O)C[C@H]([C@@H](NC(=O)OC(C)(C)C)C1)N |
| Synonyms | tert-Butyl (cis-4-amino-1,1-dioxidotetrahydrothiophen-3-yl)carbamate,
tert-Butyl (trans-4-amino-1,1-dioxidotetrahydrothiophen-3-yl)carbamate,
1903431-97-9,
1443983-23-0,
|
| Complexity | 366 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.313g/mol |
| Monoisotopic Mass | 250.099g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
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Certificate of Analysis
Lot Number