3-Mercaptopropionic acid - ≥95% , CAS No.107-96-0

CAS: 107-96-0 Cat. No.: M590994 分子式: C₃H₆O₂S 分子量: 106.14 Beilstein Registry Number: 773807 EC番号: 203-537-0

グレード＆純度 ≥95%

Synonyms

3-Sulfanylpropanoic acid | 3-Thiopropionic acid | 3-Mercaptopropanoic acid | beta-Mercaptopropionic acid | 2-Mercaptoethanecarboxylic acid | 3-Thiopropanoic acid | Mercaptopropionic acid

Storage

Argon charged,Room temperature

Shipped In

Normal

仕様

同義語

3-Sulfanylpropanoic acid | 3-Thiopropionic acid | 3-Mercaptopropanoic acid | beta-Mercaptopropionic acid | 2-Mercaptoethanecarboxylic acid | 3-Thiopropanoic acid | Mercaptopropionic acid

仕様と純度

≥95%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

504751108

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751108

カノニカル・スマイル

C(CS)C(=O)O

IUPAC Name

3-sulfanylpropanoic acid

InChIKey

DKIDEFUBRARXTE-UHFFFAOYSA-N

INCHI

1S/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)

異性体SMILES

C(CS)C(=O)O

WGKドイツ

1

RTECS

UF5270000

UN番号

2922

分子量

106.14

Beilstein

773807

Reaxy-Rn

773807

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=773807&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Alkylthiols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: mercaptopropanoic acid

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）

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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関連ターゲット（非人間）

blaZ Beta-lactamase (285 Activities)

Discover Target: blaZ

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Haemophilus influenzae (8812 Activities)

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Bacillus subtilis (32866 Activities)

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Bacillus cereus (7522 Activities)

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Mus musculus (284745 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Miscible with water, alcohol, benzene and ether.
• 感度: Sensitive to air and easy to absorb moisture
• 融点（°C）: 17 °C
• 屈折率: 1.492
• 引火点（°F）: 200.1 °F
• 引火点（°C）: 93.4°C
• 沸点（°C）: 110-111°C
• 融点（°C）: 15-18°C
• 分子量: 106.150 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 106.009 Da
• Monoisotopic Mass: 106.009 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 52.800
• 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