Thioacetanilide - ≥98% , CAS No.637-53-6

CAS: 637-53-6 Cat. No.: T161816 分子式: C₈H₉NS 分子量: 151.23 Beilstein Registry Number: 12245 EC番号: 211-288-4 PubChem CID: 820777

GRADE & PURITY ≥98%

Synonyms

SCHEMBL340780 | WLN: SUY1&MR | FT-0693782 | BDBM50499816 | MFCD00004942 | EINECS 211-288-4 | BRN 2205727 | Q27282872 | THIOACETANILIDE [INCI] | Thioacetanilide, 98% | NSC36984 | NSC-36984 | AQ-012/40221353 | Ethanethioamide, N-phenyl- | Thioacetanilide |

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

概要

Metabolism and acute toxicity of thioacetanilide has been studied in rat. Thioacetanilide undergoes nucleophilic addition reaction with superoxide ion in dimethyl sulfoxide.

Specifications

同義語

SCHEMBL340780 | WLN: SUY1&MR | FT-0693782 | BDBM50499816 | MFCD00004942 | EINECS 211-288-4 | BRN 2205727 | Q27282872 | THIOACETANILIDE [INCI] | Thioacetanilide, 98% | NSC36984 | NSC-36984 | AQ-012/40221353 | Ethanethioamide, N-phenyl- | Thioacetanilide |

仕様と純度

≥98%

保管条件

Room temperature,Argon charged,Desiccated

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 504760226
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760226
• カノニカル・スマイル: CC(=S)NC1=CC=CC=C1
• IUPAC Name: N-phenylethanethioamide
• InChIKey: MWCGLTCRJJFXKR-UHFFFAOYSA-N
• INCHI: 1S/C8H9NS/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
• 異性体SMILES: CC(=S)NC1=CC=CC=C1
• WGKドイツ: 3
• RTECS: AE7350000
• PubChem CID: 820777
• 分子量: 151.23
• Beilstein: 12245
• Reaxy-Rn: 2205727

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thioamides Thiocarboxylic acid amides Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Thioamide - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

関連ターゲット（人間）

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 沸点（°C）: 147°C/1mmHg
• 融点（°C）: 76-79°C
• 分子量: 151.230 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 151.046 Da
• Monoisotopic Mass: 151.046 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 116.000
• 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?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, desiccated, 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 637-53-6, the molecular formula is C8H9NS, and the molecular weight is 151.23 g/mol. InChIKey MWCGLTCRJJFXKR-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.