3-(Methylthio)propionic Acid - 10mM in DMSO , CAS No.646-01-5

CAS: 646-01-5 Cat. No.: M425273 분자식: C₄H₈O₂S 분자량: 120.17 EC 번호: 211-460-9

GRADE & PURITY 10mM in DMSO

Synonyms

3-methylsulfanylpropionic acid | 3-Methylsulfanyl-Propionic Acid | D87669 | SCHEMBL342851 | 3-(METHYLMERCAPTO)PROPANOIC ACID | 3-(Methylmercapto)propionic Acid | 3-methylsulfanylpropanoic acid | 3-METHYLTHIOPROPIONA | 3-methylthiopropionate | 3(methylthio

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

동의어

3-methylsulfanylpropionic acid | 3-Methylsulfanyl-Propionic Acid | D87669 | SCHEMBL342851 | 3-(METHYLMERCAPTO)PROPANOIC ACID | 3-(Methylmercapto)propionic Acid | 3-methylsulfanylpropanoic acid | 3-METHYLTHIOPROPIONA | 3-methylthiopropionate | 3(methylthio

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 528758288
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528758288
• 정식 스마일: CSCCC(=O)O
• IUPAC Name: 3-methylsulfanylpropanoic acid
• InChIKey: CAOMCZAIALVUPA-UHFFFAOYSA-N
• INCHI: 1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
• 이성체 SMILES: CSCCC(=O)O
• 분자량: 120.17
• Reaxy-Rn: 1743054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1743054&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: Thia fatty acids

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

작용 메커니즘

화학 및 물리적 특성

• 굴절률: 1.4870 to 1.4910
• 발화점(°F): 104°C
• 발화점(°C): 104°C
• 끓는점(°C): 130°C/15mmHg
• 녹는점(°C): ca16°
• 분자량: 120.170 g/mol
• XLogP3: 0.400
• 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

참고 문헌

1. Hongling Fang, Yi Li, Songwei Zhang, Qi Ding, Litian Hu.  (2022)  Novel binary oil-soluble ionic liquids with high lubricating performance.  TRIBOLOGY INTERNATIONAL,      [PMID:] [10.1016/j.triboint.2022.107724]