ZAPA sulfate , CAS No.371962-01-5

CAS: 371962-01-5 Cat. No.: Z288236 Molecular Weight: 244.24 PubChem CID: 90479730

Synonyms

(Z)-3-[(Aminoiminomethyl)thio]prop-2-enoic acid sulfate

Storage

Room temperature

Shipped In

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Specifications

Synonyms

(Z)-3-[(Aminoiminomethyl)thio]prop-2-enoic acid sulfate

Biochemical and Physiological Mechanisms

More potent than either GABA or muscimol as an agonist at low affinity GABAAreceptors and is thus a useful ligand to investigate GABA receptors linked to benzodiazepine receptors. Also a GABAA-ρreceptor antagonist.

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: C(=CSC(=N)N)C(=O)O.OS(=O)(=O)O
• IUPAC Name: (Z)-3-carbamimidoylsulfanylprop-2-enoic acid;sulfuric acid
• InChIKey: UWVNHPNVOMFDHW-ODZAUARKSA-N
• INCHI: 1S/C4H6N2O2S.H2O4S/c5-4(6)9-2-1-3(7)8;1-5(2,3)4/h1-2H,(H3,5,6)(H,7,8);(H2,1,2,3,4)/b2-1-
• Isomeric SMILES: C(=C\SC(=N)N)\C(=O)O.OS(=O)(=O)O
• PubChem CID: 90479730
• Molecular Weight: 244.24

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Organic sulfuric acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Organic sulfuric acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic sulfuric acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Acrylic acids and derivatives Isothioureas Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Sulfuric acid - Straight chain fatty acid - Unsaturated fatty acid - Fatty acid - Fatty acyl - Acrylic acid or derivatives - Isothiourea - Carboxylic acid - Carboxylic acid derivative - Sulfenyl compound - Carboximidamide - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organosulfur compound - Imine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
• 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

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 10
• Molecular Weight: 244.300 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 243.982 Da
• Monoisotopic Mass: 243.982 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

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