4-(3-Methylbenzyl)thiomorpholine , CAS No.414882-72-7

CAS: 414882-72-7 Cat. No.: M1319084 Formule: C₁₂H₁₇NS Poids moléculaire: 207.34

Storage

Room temperature

Shipped In

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Specifications

Conditions de stockage de stockage

Room temperature

Expédié en

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Noms et identifiants

• Sourires canoniques: CC1=CC(=CC=C1)CN2CCSCC2
• IUPAC Name: 4-[(3-methylphenyl)methyl]thiomorpholine
• InChIKey: PGGZEZVGUUKGKB-UHFFFAOYSA-N
• INCHI: 1S/C12H17NS/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-4,9H,5-8,10H2,1H3
• Poids moléculaire: 207.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Toluenes Aralkylamines Thiomorpholines Trialkylamines Dialkylthioethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - 1,4-thiazinane - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Dialkylthioether - Thioether - Azacycle - Amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 207.340 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.108 Da
• Monoisotopic Mass: 207.108 Da
• Topological Polar Surface Area: 28.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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

Foire aux questions

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 414882-72-7, the molecular formula is C12H17NS, and the molecular weight is 207.34 g/mol. InChIKey PGGZEZVGUUKGKB-UHFFFAOYSA-N.

What documentation is provided?

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