| CAS Number | 1314538-74-3 |
| Catalog Number | AG00HSH7(AGN-PC-0WQZRU) |
| Chemical Name | tert-Butyl N-[(5-formylthiophen-2-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(5-formylthiophen-2-yl)methyl]carbamate |
| InChI | InChI=1S/C11H15NO3S/c1-11(2,3)15-10(14)12-6-8-4-5-9(7-13)16-8/h4-5,7H,6H2,1-3H3,(H,12,14) |
| InChI Key | HKPSHJKELZXERP-UHFFFAOYSA-N |
| MDL Number | MFCD30182388 |
| Molecular Formula | C11H15NO3S |
| Molecular Weight | 241.3067 |
| SMILES | CC(OC(NCC1SC(C=O)=CC=1)=O)(C)C |
| Synonyms | tert-Butyl N-[(5-formylthiophen-2-yl)methyl]carbamate,
1314538-74-3,
5-(tert-Butoxycarbonylaminomethyl)thiophene-2-carbaldehyde,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.305g/mol |
| Monoisotopic Mass | 241.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 83.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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