2,5-Dithiobiurea - ≥99% , CAS No.142-46-1

CAS: 142-46-1 Cat. No.: D106544 Formula: C₂H₆N₄S₂ Peso molecolare: 150.23 Numero EC: 205-537-6

GRADE & PURITY ≥99%

Synonyms

2,5-DITHIOBIUREA | Dithiocarbamoylhydrazine | (N H2 C S N H)2 | Bis(thiourea) | Dithiobiurea (VAN) | MFCD00014471 | KCOYHFNCTWXETP-UHFFFAOYSA-N | UNII-825972ISQX | A807910 | NCGC00331503-01 | Q27269309 | USAF ek-p-6281 | Bithiourea (VAN) | NSC 3511 | USAF

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

2,5-DITHIOBIUREA | Dithiocarbamoylhydrazine | (N H2 C S N H)2 | Bis(thiourea) | Dithiobiurea (VAN) | MFCD00014471 | KCOYHFNCTWXETP-UHFFFAOYSA-N | UNII-825972ISQX | A807910 | NCGC00331503-01 | Q27269309 | USAF ek-p-6281 | Bithiourea (VAN) | NSC 3511 | USAF

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488192283
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192283
• Sorrisi canonici: C(=S)(N)NNC(=S)N
• IUPAC Name: (carbamothioylamino)thiourea
• InChIKey: KCOYHFNCTWXETP-UHFFFAOYSA-N
• INCHI: 1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
• Isomeri SMILES: C(=S)(N)NNC(=S)N
• WGK Germania: 3
• RTECS: EC1460000
• Peso molecolare: 150.23
• Reaxy-Rn: 1723178
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1723178&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Hydrazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Hydrazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiosemicarbazides
• Alternative Parents: Organosulfur compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiosemicarbazide - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiosemicarbazides. These are compounds containing a derivative of thiosemicarbazide with the general structure R1N(R2)N(R3)C(=S)N(R4)R5 (R1-R5=H, alkyl, aryl) where the ketone group has carbonyl group has been replaced with a thiocarbonyl group.
• 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

Obiettivi associati (umani)

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Discover Target: AR

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in hot water, pyridine, triethylamine and dimethylformamide. Insoluble in cold water
• Punto di fusione (°C): 212°C
• Peso molecolare: 150.230 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 150.003 Da
• Monoisotopic Mass: 150.003 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 96.600
• 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

Riferimenti

1. Wang Qi, Yan Huiyu, Yao Linyan, Guo Ying, Xiao Jianxi.  (2024)  A robust acid-resistant chelating polymer for enhanced stabilization of lead ions in fly ash.  BMC Chemistry,  18  (1): (1-9).  [PMID:38783370] [10.1186/s13065-024-01209-z]

2. Jiaxin Luo, Yihui Wu, Dawei Xiang, Shixing Wang, Jianqiang Ye, Hongliang Liu, Libo Zhang.  (2025)  Dithiourea-bridged cross-linked COF-COF for efficient and selective gallium recovery.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.136690]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 142-46-1, the molecular formula is C2H6N4S2, and the molecular weight is 150.23 g/mol. InChIKey KCOYHFNCTWXETP-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.