(Ethylthio)Acetic Acid - ≥98% , CAS No.627-04-3

CAS: 627-04-3 Cat. No.: E300419 분자식: C₄H₈O₂S 분자량: 120.17 EC 번호: 210-979-8

GRADE & PURITY ≥98%

Synonyms

SCHEMBL623697 | (ETHYLTHIO)ACETICACID | 2-(ETHYLTHIO)ETHANOIC ACID | Carboxymethyl ethyl sulfide | STK502173 | SY078874 | EN300-97332 | ethylmercaptoacetic acid | 2-(ethylsulfanyl)acetic acid | STR04669 | AKOS000137291 | (Ethylthio)acetic acid, AldrichCPR

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

동의어

SCHEMBL623697 | (ETHYLTHIO)ACETICACID | 2-(ETHYLTHIO)ETHANOIC ACID | Carboxymethyl ethyl sulfide | STK502173 | SY078874 | EN300-97332 | ethylmercaptoacetic acid | 2-(ethylsulfanyl)acetic acid | STR04669 | AKOS000137291 | (Ethylthio)acetic acid, AldrichCPR

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488184310
• 정식 스마일: CCSCC(=O)O
• IUPAC Name: 2-ethylsulfanylacetic acid
• InChIKey: VJIKFWJCVWFZIN-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6)
• 이성체 SMILES: CCSCC(=O)O
• 분자량: 120.17
• Reaxy-Rn: 1743038
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743038&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Straight chain fatty acids
• Alternative Parents: Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Straight chain fatty acid - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
• 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

화학 및 물리적 특성

• 끓는점(°C): 117-118°/11mm
• 분자량: 120.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 62.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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 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 627-04-3, the molecular formula is C4H8O2S, and the molecular weight is 120.17 g/mol. InChIKey VJIKFWJCVWFZIN-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.