| CAS Number | 146827-60-3 |
| Catalog Number | AG00HXJF(AGN-PC-0N3HQB) |
| Chemical Name | 1-Piperidinecarboxylic acid, 4-(acetylthio)-, phenylmethyl ester |
| IUPAC Name | benzyl 4-acetylsulfanylpiperidine-1-carboxylate |
| InChI | InChI=1S/C15H19NO3S/c1-12(17)20-14-7-9-16(10-8-14)15(18)19-11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3 |
| InChI Key | JWYKWBXEAKBIJY-UHFFFAOYSA-N |
| MDL Number | MFCD24447533 |
| Molecular Formula | C15H19NO3S |
| Molecular Weight | 293.3813 |
| SMILES | O=C(N1CCC(CC1)SC(=O)C)OCc1ccccc1 |
| Synonyms | benzyl 4-(acetylthio)piperidine-1-carboxylate,
146827-60-3,
benzyl 4-(acetylthio)-1-piperidinecarboxylate,
SCHEMBL5234494,
JWYKWBXEAKBIJY-UHFFFAOYSA-N,
MFCD24447533,
ZINC38683985,
AS-41075,
4-(Acetylthio)piperidine-1-carboxylic acid benzyl ester,
1-Piperidinecarboxylic acid, 4-(acetylthio)-, phenylmethyl ester,
CID10379647,
Benzyl 4-acetylsulfanylpiperidine-1-carboxylate,
benzyl 4-(acetylthio)piperidine-1-carboxylate, 95% - 1G 1g,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.381g/mol |
| Monoisotopic Mass | 293.109g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number