| CAS Number | 1049148-10-8 |
| Catalog Number | AG01A733 |
| Chemical Name | tert-butyl N-(1,1-dioxo-2,3-dihydro-1lambda6-thiophen-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)carbamate |
| InChI | InChI=1S/C9H15NO4S/c1-9(2,3)14-8(11)10-7-4-5-15(12,13)6-7/h4-5,7H,6H2,1-3H3,(H,10,11) |
| InChI Key | YNVKZWXOINQFRR-UHFFFAOYSA-N |
| MDL Number | MFCD13811953 |
| Molecular Formula | C9H15NO4S |
| Molecular Weight | 233.2847 |
| SMILES | CC(OC(NC1C=CS(=O)(=O)C1)=O)(C)C |
| Synonyms | 1049148-10-8,
tert-butyl N-(1,1-dioxo-2,3-dihydro-1lambda6-thiophen-3-yl)carbamate,
AKOS002679090,
NE38239,
tert-butyl N-(1,1-dioxo-2,3-dihydro-1??-thiophen-3-yl)carbamate,
tert-butyl N-(1,1-dioxo-2,3-dihydro-1lambda-thiophen-3-yl)carbamate,
|
| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.282g/mol |
| Monoisotopic Mass | 233.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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