N-BOC-Piperidine-4-thiocarboxamide - ≥98% , CAS No.214834-18-1

CAS: 214834-18-1 Cat. No.: N182798 Peso molecular: 244.4 Número EC: 692-212-0

GRADE & PURITY ≥98%

Synonyms

1-t-butyloxycarbonyl-isonipecot-thioamide | 1-tert-butoxycarbonylpiperidine-4-thiocarboxamide | SCGQNJHAAYUQOO-UHFFFAOYSA-N | AKOS009157764 | tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylate | SCHEMBL163922 | A815410 | tert-butyl 4-carbamothioylp

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

1-Boc-4-Thiocarbamoylpiperidine is a useful research chemical.

Specifications

Sinónimos

1-t-butyloxycarbonyl-isonipecot-thioamide | 1-tert-butoxycarbonylpiperidine-4-thiocarboxamide | SCGQNJHAAYUQOO-UHFFFAOYSA-N | AKOS009157764 | tert-butyl 4-(aminocarbonothioyl)piperidine-1-carboxylate | SCHEMBL163922 | A815410 | tert-butyl 4-carbamothioylp

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761269
• Sonrisas canónicas: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
• IUPAC Name: tert-butyl 4-carbamothioylpiperidine-1-carboxylate
• InChIKey: SCGQNJHAAYUQOO-UHFFFAOYSA-N
• INCHI: 1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)
• Isómeros SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N
• Peso molecular: 244.4
• Reaxy-Rn: 10256975
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10256975&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Thioamides Carbamate esters Organic carbonic acids and derivatives Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Thioamide - Carbamic acid ester - Carbonic acid derivative - Thiocarboxylic acid amide - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Thiocarbonyl group - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 244.360 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.125 Da
• Monoisotopic Mass: 244.125 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 278.000
• 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