Amidinothiourea - ≥98% , CAS No.2114-02-5

CAS: 2114-02-5 Cat. No.: A111256 分子式: C₂H₆N₄S 分子量: 118.16 EC番号: 218-308-0

GRADE & PURITY ≥98%

Synonyms

2-Imino-4-thiobiuret, 99% | Amidinothiourea | EN300-34314 | guanyl isothiourea | (diaminomethylidene)thiourea | 1-(diaminomethylene)thiourea | EINECS 218-308-0 | E75731 | BBL008942 | diaminomethylidenethiourea | N-Amidinothiourea | N-amidino-thiourea | 1-

Storage

Room temperature

Shipped In

Normal

概要

Application

2-Imino-4-thiobiuret is used in the design and synthesis of guanylthiourea derivatives which are potential inhibitors of plasmodium falciparum dihydrofolate reductase enzyme. 2-Imino-4-thiobiuret is also used as a reagent in recyclization reactions of N-arylmaleimides with polynucleophilic compounds.

Specifications

同義語

2-Imino-4-thiobiuret, 99% | Amidinothiourea | EN300-34314 | guanyl isothiourea | (diaminomethylidene)thiourea | 1-(diaminomethylene)thiourea | EINECS 218-308-0 | E75731 | BBL008942 | diaminomethylidenethiourea | N-Amidinothiourea | N-amidino-thiourea | 1-

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488192282
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192282
• カノニカル・スマイル: C(=NC(=S)N)(N)N
• IUPAC Name: diaminomethylidenethiourea
• InChIKey: OKGXJRGLYVRVNE-UHFFFAOYSA-N
• INCHI: 1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
• 異性体SMILES: C(=NC(=S)N)(N)N
• WGKドイツ: 3
• RTECS: YR8250000
• 分子量: 118.16
• Reaxy-Rn: 3587727
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3587727&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Guanidines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organosulfur compounds Organopnictogen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Imine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as guanidines. These are compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5.
• 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

化学的性質と物理的性質

• 溶解度: Soluble in water (70g/L).
• 融点（°C）: 160-164°C
• 分子量: 118.160 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 118.031 Da
• Monoisotopic Mass: 118.031 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 102.000
• 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

参考文献

1. Lulu Zhang, Long Jiang, Yaojie Liu, Zongjiang Yu, Ximin Chen, Xiaomeng Su, Mo Xian, Weizhi Sun, Chao Xu.  (2023)  The design and adsorption behaviors study of Pd(II) removal materials deriving from quantitative electron transfer ratio evaluation.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110264]

2. Zhu Lingkai, Xi Man, Yao Yuyuan, Lan Ping.  (2023)  Thiol -functionalized activated carbon fibers as efficient adsorbents for Pb2+.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2023.127552]

3. Xiao Xudong, Lin Siying, Zhang Liping, Meng Huiyuan, Zhou Jing, Li Qi, Liu Jianan, Qiao Panzhe, Jiang Baojiang, Fu Honggang.  (2021)  Constructing Pd-N interactions in Pd/g-C3N4 to improve the charge dynamics for efficient photocatalytic hydrogen evolution.  Nano Research,  15  (4): (2928-2934).  [PMID:] [10.1007/s12274-021-3905-y]

4. Heping Wang, Bang Feng, Qianwen Zhang, Qiang Du, Qiuhong Bai, Cong Li, Yehua Shen.  (2021)  Amidinothiourea-linked covalent organic framework for the adsorption of heavy metal ions.  POLYMER INTERNATIONAL,  71  (1): (38-46).  [PMID:] [10.1002/pi.6281]

5. Fangxiang Song, Xianquan Ao, Qianlin Chen.  (2021)  Effect of heteroatom doping on the charge storage and operating voltage window of nickel-based sulfide composite electrodes in alkaline electrolytes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2021.130885]

6. Chaokun Yang, Yanglin Chen, Ping Xu, Li Yang, Jiaxu Zhang, Jianmin Sun.  (2019)  Facile synthesis of zinc halide-based ionic liquid for efficient conversion of carbon dioxide to cyclic carbonates.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2019.110637]

7. Huicai Wang, Zhenwen Wang, Ruirui Yue, Feng Gao, Ruili Ren, Junfu Wei, Xiaolei Wang, Zhiyun Kong.  (2019)  Functional group-rich hyperbranched magnetic material for simultaneous efficient removal of heavy metal ions from aqueous solution.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:31581011] [10.1016/j.jhazmat.2019.121288]

8. Lei Guo, Lei Zhu, Savaş Kaya, Rui Sun, Alessandra Gilda Ritacca, Kai Wang, Jun Chang.  (2024)  Electrochemical and surface investigations of N, S codoped carbon dots as effective corrosion inhibitor for mild steel in acidic solution.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2024.135062]

9. Xiao Feng, Wang Lei, He Qihang, Xu Fan, Wu Donghua, Chen Chao, He Ping, Tang Bin.  (2025)  Preparation of CoS1.097-NiS-MoS2 battery-type electrode material by sulfuration of ZIF-67/NiMoO4 for hybrid supercapacitor application.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,      [PMID:] [10.1007/s10008-025-06396-w]

よくある質問

What is the purity of this product?

This product is supplied at ≥98% 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 2114-02-5, the molecular formula is C2H6N4S, and the molecular weight is 118.16 g/mol. InChIKey OKGXJRGLYVRVNE-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.