Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)OC(=O)NCC1=CC=C(S1)C#N |
|---|---|
| IUPAC Name | tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate |
| InChIKey | DXUXBZDPVIIKBO-UHFFFAOYSA-N |
| INCHI | 1S/C11H14N2O2S/c1-11(2,3)15-10(14)13-7-9-5-4-8(6-12)16-9/h4-5H,7H2,1-3H3,(H,13,14) |
| Isomeric SMILES | CC(C)(C)OC(=O)NCC1=CC=C(S1)C#N |
| PubChem CID | 18506747 |
| Molecular Weight | 238.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 238.310 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 238.078 Da |
| Monoisotopic Mass | 238.078 Da |
| Topological Polar Surface Area | 90.400 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |