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

CAS: 237432-11-0 Cat. No.: F578864 Molecular Weight: 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

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

Specifications & Purity

≥95%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488196844
• Canonical Smiles: 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
• Isomeric SMILES: C1CSCCN1C2=C(C=C(C=C2)N)F
• Molecular Weight: 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
    • Class Thiazinanes
      • Subclass Thiomorpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 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