Lutiram , CAS No.496-08-2

CAS: 496-08-2 Cat. No.: L668314 Fórmula: C₁₀H₁₆N₂S₄ Peso molecular: 292.5

Synonyms

Lutiram|Dithiobis(pyrrolizinomethanethione)|Pyrrolidine-1-Carbothioic Dithioperoxyanhydride|DPTD|Disulfiram analog 2|Disulfide, bis(1-pyrrolidinylthiocarbonyl)|Pyrrolidine, 1,1'-(dithiodicarbonothioyl)bis-|pyrrolidine-1-carbothioylsulfanyl pyrrolidine-1-carbodithioate|Bis(pyrrolidinothioxomethyl) disulfide|Thiuram disulfide, di-1,4-butanediyl-|Thiuram disulfide, bis(tetramethylene)-|Di(1-pyrrolidinyl)dithioperoxyanhydride #|1,1'-(dithiodicarbonothioyl)bispyrrolidine|pyrollidine-1-carbothioic dithioperoxyanhydride

Storage

Room temperature

Especificações

Sinónimos

Lutiram | Dithiobis(pyrrolizinomethanethione) | Pyrrolidine-1-Carbothioic Dithioperoxyanhydride | DPTD | Disulfiram analog 2 | Disulfide, bis(1-pyrrolidinylthiocarbonyl) | Pyrrolidine, 1,1'-(dithiodicarbonothioyl)bis- | pyrrolidine-1-carbothioylsulfanyl pyrrolidine-1-carbodithioate | Bis(pyrrolidinothioxomethyl) disulfide | Thiuram disulf Show more

Condições de armazenamento de armazenamento

Room temperature

Propriedades do produto

ALogP

2.7

Nomes e identificadores

Sorrisos canónicos

C1CCN(C1)C(=S)SSC(=S)N2CCCC2

IUPAC Name

pyrrolidine-1-carbothioylsulfanyl pyrrolidine-1-carbodithioate

InChIKey

KCGUGVQODCQMBI-UHFFFAOYSA-N

INCHI

1S/C10H16N2S4/c13-9(11-5-1-2-6-11)15-16-10(14)12-7-3-4-8-12/h1-8H2

SMILES isoméricas

C1CCN(C1)C(=S)SSC(=S)N2CCCC2

Peso molecular

292.5

Reaxy-Rn

228436

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=228436&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Thiuram disulfides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Thiuram disulfides
• Alternative Parents: Pyrrolidines Organic disulfides Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Thiuram disulfide - Pyrrolidine - Organic disulfide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as thiuram disulfides. These are organic disulfides that have the general structural formula RN(R')C(=S)SSC(=S)N(R\")R\"', where R-R\"'=alkyl groups.
• 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

Alvos associados (humanos)

MGLL Tchem Monoglyceride lipase (1 Activities)

Discover Target: MGLL

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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FBP1 Tchem Fructose-1,6-bisphosphatase (1199 Activities)

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MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)

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K562 (73714 Activities)

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MCF7 (126967 Activities)

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T47D (39041 Activities)

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MDA-MB-231 (73002 Activities)

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MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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Alvos associados (não humanos)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Candida parapsilosis (8521 Activities)

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Trichomonas vaginalis (2376 Activities)

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Sporothrix schenckii (1580 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 292.500 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 292.02 Da
• Monoisotopic Mass: 292.02 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 242.000
• 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

Perguntas frequentes

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 496-08-2, the molecular formula is C10H16N2S4, and the molecular weight is 292.5 g/mol. InChIKey KCGUGVQODCQMBI-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.