| CAS Number | 368442-47-1 |
| Catalog Number | AG00I7AL(AGN-PC-0CDBOY) |
| Chemical Name | Tert-butyl N-(2-formylthiophen-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(2-formylthiophen-3-yl)carbamate |
| InChI | InChI=1S/C10H13NO3S/c1-10(2,3)14-9(13)11-7-4-5-15-8(7)6-12/h4-6H,1-3H3,(H,11,13) |
| InChI Key | WFKLWNDDNOQFKO-UHFFFAOYSA-N |
| MDL Number | MFCD22417221 |
| Molecular Formula | C10H13NO3S |
| Molecular Weight | 227.2801 |
| SMILES | CC(OC(NC1=C(C=O)SC=C1)=O)(C)C |
| Synonyms | 368442-47-1,
tert-butyl N-(2-formylthiophen-3-yl)carbamate,
tert-butyl (2-formylthiophen-3-yl)carbamate,
SCHEMBL1680515,
WFKLWNDDNOQFKO-UHFFFAOYSA-N,
ZINC86029359,
AKOS030528670,
N-Boc-3-aminothiophene-2-carboxaldehyde, 97%,
(2-Formyl-thiophen-3-yl)-carbamic acid tert-butyl ester,
Carbamic acid, (2-formyl-3-thienyl)-, 1,1-dimethylethyl ester,
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.278g/mol |
| Monoisotopic Mass | 227.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number