티오아세타닐라이드 - ≥98% , CAS No.637-53-6

CAS: 637-53-6 Cat. No.: T161816 분자식: C₈H₉NS 분자량: 151.23 Beilstein Registry Number: 12245 EC 번호: 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

보통

개요

티오아세타닐라이드의 대사와 급성 독성은 쥐를 대상으로 연구되었습니다. 티오아세타닐라이드는 디메틸 설폭사이드에서 슈퍼옥사이드 이온과 핵친화적 첨가 반응을 거칩니다.

Specifications

동의어

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 |

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged,Desiccated

배송

보통

순수함

≥98%

이름과 식별자

• Pubchem Sid: 504760226
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760226
• 정식 스마일: 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)
• 이성체 SMILES: CC(=S)NC1=CC=CC=C1
• WGK 독일: 3
• RTECS: AE7350000
• PubChem CID: 820777
• 분자량: 151.23
• Beilstein: 12245
• Reaxy-Rn: 2205727

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture sensitive
• 끓는점(°C): 147°C/1mmHg
• 녹는점(°C): 76-79°C
• 분자량: 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

자주 묻는 질문

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.