2-(Thiobenzoylthio)propionic acid - ≥97% , CAS No.78751-36-7

CAS: 78751-36-7 Cat. No.: T282319 Summenformel: C₁₀H₁₀O₂S₂ Molekulargewicht: 226.32 EG-Nummer: 804-604-2 PubChem CID: 44588047

GRADE & PURITY ≥97%

Synonyms

2-(benzenecarbonothioylsulfanyl)propanoic acid | 2-((Phenylcarbonothioyl)thio)propanoic acid | 2-(BENZENECARBOTHIOYLSULFANYL)PROPANOIC ACID | 2-((Phenylcarbonothioyl)thio)propanoicacid | 2-(Phenylcarbonothioylthio)propanoic acid, 98% | 2-[thiobenzoylsulfa

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-(benzenecarbonothioylsulfanyl)propanoic acid | 2-((Phenylcarbonothioyl)thio)propanoic acid | 2-(BENZENECARBOTHIOYLSULFANYL)PROPANOIC ACID | 2-((Phenylcarbonothioyl)thio)propanoicacid | 2-(Phenylcarbonothioylthio)propanoic acid, 98% | 2-[thiobenzoylsulfa

Spezifikationen & Reinheit

≥97%

Rechtliche Informationen

Sold for research purposes only. Not for use in humans or animals. Patents: WO98/01478, WO99/311444. ***Limited quantities available.***

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Kanonisches Lächeln

CC(C(=O)O)SC(=S)C1=CC=CC=C1

IUPAC Name

2-(benzenecarbonothioylsulfanyl)propanoic acid

InChIKey

HPSQKMAZWIIJBT-UHFFFAOYSA-N

INCHI

1S/C10H10O2S2/c1-7(9(11)12)14-10(13)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)

Isomere SMILES

CC(C(=O)O)SC(=S)C1=CC=CC=C1

WGK Deutschland

3

PubChem CID

44588047

Molekulargewicht

226.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Carbodithioic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Carbodithioic ester - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: 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

Zugehörige Ziele (menschlich)

PAM Tchem Peptidyl-glycine alpha-amidating monooxygenase (90 Activities)

Discover Target: PAM

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light sensitive
• Molekulargewicht: 226.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 226.012 Da
• Monoisotopic Mass: 226.012 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 222.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1