3-Fluoro-4-thiomorpholinoaniline - ≥95% , CAS No.237432-11-0

CAS: 237432-11-0 Cat. No.: F578864 Peso molecular: 212.29

GRADE & PURITY ≥95%

Synonyms

SB18201 | STK897832 | SY124964 | W13109 | 3-fluoro-4-thiomorpholin-4-ylaniline | DTXSID60445377 | Benzenamine, 3-fluoro-4-(4-thiomorpholinyl)- | SCHEMBL2151759 | MFCD09953533 | 3-Fluoro-4-thiomorpholinoaniline | AKOS005174183 | 3-fluoro-4-(thiomorpholin-4

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SB18201 | STK897832 | SY124964 | W13109 | 3-fluoro-4-thiomorpholin-4-ylaniline | DTXSID60445377 | Benzenamine, 3-fluoro-4-(4-thiomorpholinyl)- | SCHEMBL2151759 | MFCD09953533 | 3-Fluoro-4-thiomorpholinoaniline | AKOS005174183 | 3-fluoro-4-(thiomorpholin-4

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488196844
• Sonrisas canónicas: C1CSCCN1C2=C(C=C(C=C2)N)F
• IUPAC Name: 3-fluoro-4-thiomorpholin-4-ylaniline
• InChIKey: XWGJVQLPRBNUNS-UHFFFAOYSA-N
• INCHI: 1S/C10H13FN2S/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
• Isómeros SMILES: C1CSCCN1C2=C(C=C(C=C2)N)F
• Peso molecular: 212.29
• Reaxy-Rn: 7479238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7479238&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylthiomorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Fluorobenzenes Aryl fluorides Dialkylthioethers Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylthiomorpholine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Azacycle - Dialkylthioether - Thioether - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylthiomorpholines. These are compounds containing a thiomorpholine ring conjugated to a phenyl group. Thiomorpholine a six-membered aliphatic ring containing one nitrogen atom and one sulfur atom at positions 1 and 4 respectively, and four carbon atoms.
• 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

• Sensibilidad: Light sensitive
• Peso molecular: 212.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 212.078 Da
• Monoisotopic Mass: 212.078 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 185.000
• 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