Xanthane Hydride (ADTT) - ≥95%(HPLC) , CAS No.6846-35-1

CAS: 6846-35-1 Cat. No.: X162986 Fórmula: C₂H₂N₂S₃ Peso molecular: 150.23 Número CE: 229-933-3 PubChem CID: 2735329

GRAU & PUREZA ≥95%(HPLC)

Synonyms

Xanthane hydride | 5-Imino-1,2,4-dithiazolidine-3-thione | 3-Amino-1,2,4-dithiazole-5-thione | 5-Amino-3H-1,2,4-dithiazole-3-thione | 5-amino-1,2,4-dithiazole-3-thione | Isoperthiocyanic acid | Xanthanohydrogen | Xanthahydrogen

Storage

Protected from light,Room temperature

Shipped In

Normal

Especificações

Sinónimos

Xanthane hydride | 5-Imino-1,2,4-dithiazolidine-3-thione | 3-Amino-1,2,4-dithiazole-5-thione | 5-Amino-3H-1,2,4-dithiazole-3-thione | 5-amino-1,2,4-dithiazole-3-thione | Isoperthiocyanic acid | Xanthanohydrogen | Xanthahydrogen

Especificações e pureza

≥95%(HPLC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥95%(HPLC)

Nomes e identificadores

Pubchem Sid

488192713

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192713

Sorrisos canónicos

C1(=NC(=S)SS1)N

IUPAC Name

5-amino-1,2,4-dithiazole-3-thione

InChIKey

YWZHEXZIISFIDA-UHFFFAOYSA-N

INCHI

1S/C2H2N2S3/c3-1-4-2(5)7-6-1/h(H2,3,4,5)

SMILES isoméricas

C1(=NC(=S)SS1)N

RTECS

JO6500000

PubChem CID

2735329

Peso molecular

150.23

Reaxy-Rn

112403

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Azoles
      • Subclass Dithiazoles
        • Level5 Dithiazolethiones
          • Level6 1,2,4-dithiazole-3-thiones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Azoles
• Subclass: Dithiazoles
• Intermediate Tree Nodes: Dithiazolethiones
• Direct Parent: 1,2,4-dithiazole-3-thiones
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-dithiazole-3-thione - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2,4-dithiazole-3-thiones. These are organic compounds containing a 1,2,4-dithiazole ring with a thioketone group at ring position 3.
• 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)

VDR Tclin Vitamin D receptor (26531 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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APOBEC3F Tbio DNA dC->dU-editing enzyme APOBEC-3F (14861 Activities)

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RACGAP1 Tbio Rac GTPase-activating protein 1 (2057 Activities)

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Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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MSRA Mitochondrial peptide methionine sulfoxide reductase (338 Activities)

Discover Target: MSRA

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Light sensitive
• Peso molecular: 150.300 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.938 Da
• Monoisotopic Mass: 149.938 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 129.000
• 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

What is the purity of this product, and how is it determined?

This product is supplied at ≥95% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 6846-35-1, the molecular formula is C2H2N2S3, and the molecular weight is 150.23 g/mol. InChIKey YWZHEXZIISFIDA-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.