| CAS Number | 1820614-60-5 |
| Catalog Number | AG00I0JF |
| Chemical Name | Benzyl N-(1-benzothiophen-2-yl)carbamate |
| IUPAC Name | benzyl N-(1-benzothiophen-2-yl)carbamate |
| InChI | InChI=1S/C16H13NO2S/c18-16(19-11-12-6-2-1-3-7-12)17-15-10-13-8-4-5-9-14(13)20-15/h1-10H,11H2,(H,17,18) |
| InChI Key | RGHVERTVPNHFKC-UHFFFAOYSA-N |
| MDL Number | MFCD27981314 |
| Molecular Formula | C16H13NO2S |
| Molecular Weight | 283.3449 |
| SMILES | O=C(Nc1cc2c(s1)cccc2)OCc1ccccc1 |
| Synonyms | Benzyl benzo[b]thiophen-2-ylcarbamate,
1820614-60-5,
BENZYL N-(1-BENZOTHIOPHEN-2-YL)CARBAMATE,
ZINC97756646,
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| Complexity | 330 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.345g/mol |
| Monoisotopic Mass | 283.067g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
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