Mls002694824 - ≥90% , CAS No.2512-27-8

CAS: 2512-27-8 Cat. No.: M1343847 Summenformel: C₁₇H₁₉N₃S Molekulargewicht: 297.4

GRADE & PURITY ≥90%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥90%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥90%

Namen und Kennungen

Kanonisches Lächeln

C1CN(CCN1C2=CC=CC=C2)C(=S)NC3=CC=CC=C3

IUPAC Name

N,4-diphenylpiperazine-1-carbothioamide

InChIKey

XDEQBZBOCYNXRV-UHFFFAOYSA-N

INCHI

1S/C17H19N3S/c21-17(18-15-7-3-1-4-8-15)20-13-11-19(12-14-20)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,21)

Molekulargewicht

297.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines N-phenylthioureas Dialkylarylamines Aniline and substituted anilines Thioureas Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - N-phenylthiourea - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Thiourea - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 297.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 297.13 Da
• Monoisotopic Mass: 297.13 Da
• Topological Polar Surface Area: 50.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 327.000
• 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