| CAS Number | 1989659-38-2 |
| Catalog Number | AG01B6TU |
| Chemical Name | tert-butyl N-[4-(methoxymethyl)thiophen-2-yl]carbamate |
| IUPAC Name | tert-butyl N-[4-(methoxymethyl)thiophen-2-yl]carbamate |
| InChI | InChI=1S/C11H17NO3S/c1-11(2,3)15-10(13)12-9-5-8(6-14-4)7-16-9/h5,7H,6H2,1-4H3,(H,12,13) |
| InChI Key | XPVKLFPBXDOGKK-UHFFFAOYSA-N |
| MDL Number | MFCD30342944 |
| Molecular Formula | C11H17NO3S |
| Molecular Weight | 243.3226 |
| SMILES | COCC1C=C(NC(OC(C)(C)C)=O)SC=1 |
| Synonyms | tert-butyl N-[4-(methoxymethyl)thiophen-2-yl]carbamate,
1989659-38-2,
ZINC521399267,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.321g/mol |
| Monoisotopic Mass | 243.093g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number