| CAS Number | 302341-67-9 |
| Catalog Number | AG00I5OB(AGN-PC-01X5YT) |
| Chemical Name | tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate |
| IUPAC Name | tert-butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate |
| InChI | 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) |
| InChI Key | DXUXBZDPVIIKBO-UHFFFAOYSA-N |
| MDL Number | MFCD24468595 |
| Molecular Formula | C11H14N2O2S |
| Molecular Weight | 238.3061 |
| SMILES | CC(OC(NCC1SC(C#N)=CC=1)=O)(C)C |
| Synonyms | 302341-67-9,
tert-Butyl ((5-cyanothiophen-2-yl)methyl)carbamate,
tert-Butyl N-[(5-cyanothiophen-2-yl)methyl]carbamate,
SCHEMBL588780,
DXUXBZDPVIIKBO-UHFFFAOYSA-N,
ZINC114162630,
2-cyano-5-(t-butoxycarbonylaminomethyl)thiophene,
Carbamic acid, [(5-cyano-2-thienyl)methyl]-, 1,1-dimethylethyl ester,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.305g/mol |
| Monoisotopic Mass | 238.078g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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