4-(1,1-Dioxothiomorpholino)benzaldehyde - ≥97% , CAS No.27913-96-8

CAS: 27913-96-8 Cat. No.: D155282 Summenformel: C₁₁H₁₃NO₃S Molekulargewicht: 239.29

GRADE & PURITY ≥97%

Synonyms

MFCD08276340 | 4-(1,1-Dioxidothiomorpholino)benzaldehyde | AKOS009607594 | CBA91396 | 4-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)benzaldehyde | AS-64995 | AMY20748 | SCHEMBL208973 | D3162 | DTXSID10656198 | 4-(1,1-DIOXO-1??-THIOMORPHOLIN-4-YL)BENZALDEHYDE |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

MFCD08276340 | 4-(1,1-Dioxidothiomorpholino)benzaldehyde | AKOS009607594 | CBA91396 | 4-(1,1-Dioxo-1lambda~6~,4-thiazinan-4-yl)benzaldehyde | AS-64995 | AMY20748 | SCHEMBL208973 | D3162 | DTXSID10656198 | 4-(1,1-DIOXO-1??-THIOMORPHOLIN-4-YL)BENZALDEHYDE |

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504770216

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770216

Kanonisches Lächeln

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

IUPAC Name

4-(1,1-dioxo-1,4-thiazinan-4-yl)benzaldehyde

InChIKey

JCYZHXMHEACSIN-UHFFFAOYSA-N

INCHI

1S/C11H13NO3S/c13-9-10-1-3-11(4-2-10)12-5-7-16(14,15)8-6-12/h1-4,9H,5-8H2

Isomere SMILES

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

Molekulargewicht

239.29

Reaxy-Rn

14553012

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14553012&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thiazinanes
• Subclass: Thiomorpholines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylthiomorpholines
• Alternative Parents: Dialkylarylamines Benzoyl derivatives Benzaldehydes Aniline and substituted anilines Sulfones Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylthiomorpholine - Benzaldehyde - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary amine - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Siedepunkt (°C): 518℃
• Schmelzpunkt (°C): 185 °C
• Molekulargewicht: 239.290 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 239.062 Da
• Monoisotopic Mass: 239.062 Da
• Topological Polar Surface Area: 62.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 325.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 27913-96-8, the molecular formula is C11H13NO3S, and the molecular weight is 239.29 g/mol. InChIKey JCYZHXMHEACSIN-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.