4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide - ≥98%(GC) , CAS No.1093878-42-2

CAS: 1093878-42-2 Cat. No.: B138015 分子式: C₁₀H₁₂BrNO₂S 分子量: 290.18

グレード＆純度 ≥98%(GC)

Synonyms

4-(4-Bromo-phenyl)-thiomorpholine 1,1-dioxide | 4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide | DTXSID90659743 | AS-65827 | B2614 | AKOS017559206 | 1093878-42-2 | YDNMNPHZKMEGDR-UHFFFAOYSA-N | SCHEMBL1235260 | 4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide |

Storage

Room temperature

Shipped In

Normal

仕様

同義語

4-(4-Bromo-phenyl)-thiomorpholine 1,1-dioxide | 4-(4-Bromophenyl)thiomorpholine 1,1-Dioxide | DTXSID90659743 | AS-65827 | B2614 | AKOS017559206 | 1093878-42-2 | YDNMNPHZKMEGDR-UHFFFAOYSA-N | SCHEMBL1235260 | 4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide |

仕様と純度

≥98%(GC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(GC)

名前と識別子

カノニカル・スマイル

C1CS(=O)(=O)CCN1C2=CC=C(C=C2)Br

IUPAC Name

4-(4-bromophenyl)-1,4-thiazinane 1,1-dioxide

InChIKey

YDNMNPHZKMEGDR-UHFFFAOYSA-N

INCHI

1S/C10H12BrNO2S/c11-9-1-3-10(4-2-9)12-5-7-15(13,14)8-6-12/h1-4H,5-8H2

異性体SMILES

C1CS(=O)(=O)CCN1C2=CC=C(C=C2)Br

分子量

290.18

Reaxy-Rn

20510759

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20510759&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylthiomorpholines
• Alternative Parents: Dialkylarylamines Aniline and substituted anilines Bromobenzenes Aryl bromides Sulfones Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylthiomorpholine - Dialkylarylamine - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Amine - Aromatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 290.180 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 288.977 Da
• Monoisotopic Mass: 288.977 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 290.000
• 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

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

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 1093878-42-2, the molecular formula is C10H12BrNO2S, and the molecular weight is 290.18 g/mol. InChIKey YDNMNPHZKMEGDR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.