Lutiram , CAS No.496-08-2

CAS: 496-08-2 Cat. No.: L668314 Summenformel: C₁₀H₁₆N₂S₄ Molekulargewicht: 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

Spezifikationen

Synonyme

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

Storage

Room temperature

Produkteigenschaften

ALogP

2.7

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Tertiary amines
          • Ebene6 Thiuram disulfides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

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MGLL Tchem Monoglyceride lipase (1 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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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)

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

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Faah Anandamide amidohydrolase (3907 Activities)

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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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.