| CAS Number | 1609964-38-6 |
| Catalog Number | AG00ITXI(AGN-PC-0WB2SB) |
| Chemical Name | tert-Butyl 1-imino-1-oxo-1(lambda6)-thiomorpholine-4-carboxylate |
| IUPAC Name | tert-butyl 1-imino-1-oxo-1,4-thiazinane-4-carboxylate |
| InChI | InChI=1S/C9H18N2O3S/c1-9(2,3)14-8(12)11-4-6-15(10,13)7-5-11/h10H,4-7H2,1-3H3 |
| InChI Key | YCOLCFXJGBOPGF-UHFFFAOYSA-N |
| MDL Number | MFCD30183341 |
| Molecular Formula | C9H18N2O3S |
| Molecular Weight | 234.3158 |
| SMILES | C(=O)(OC(C)(C)C)N1CCS(=N)(=O)CC1 |
| Synonyms | 1609964-38-6,
tert-butyl 1-imino-1-oxo-1(lambda6)-thiomorpholine-4-carboxylate,
tert-Butyl 1-iminothiomorpholine-4-carboxylate 1-oxide,
SCHEMBL15696594,
KS-00002BFR,
YCOLCFXJGBOPGF-UHFFFAOYSA-N,
AKOS030253666,
ZINC218425053,
SS-4914,
CS-0080106,
Tert-butyl 1-iminothiomorpholine-4-carboxylate1-oxide,
tert-Butyl 1-imino-1lambda4,4-thiazinane-4-carboxylate 1-oxide,
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| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.314g/mol |
| Monoisotopic Mass | 234.104g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number