3-Hydroxyphenylthioacetmorpholide , CAS No.500284-27-5

CAS: 500284-27-5 Cat. No.: H1277926 分子式: C₁₂H₁₅NO₂S 分子量: 237.32 PubChem CID: 229987

Storage

Room temperature

Shipped In

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Specifications

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: C1COCCN1C(=S)CC2=CC(=CC=C2)O
• IUPAC Name: 2-(3-hydroxyphenyl)-1-morpholin-4-ylethanethione
• InChIKey: WNZKDEBNSDQEPN-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO2S/c14-11-3-1-2-10(8-11)9-12(16)13-4-6-15-7-5-13/h1-3,8,14H,4-7,9H2
• 異性体SMILES: C1COCCN1C(=S)CC2=CC(=CC=C2)O
• PubChem CID: 229987
• 分子量: 237.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Morpholines Benzene and substituted derivatives Thioamides Thiocarboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Morpholine - Oxazinane - Thioamide - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Thiocarboxylic acid amide - Organic nitrogen compound - Thiocarbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-position.
• 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: 237.320 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 237.082 Da
• Monoisotopic Mass: 237.082 Da
• Topological Polar Surface Area: 64.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 241.000
• 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

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 500284-27-5, the molecular formula is C12H15NO2S, and the molecular weight is 237.32 g/mol. InChIKey WNZKDEBNSDQEPN-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.