Bismuthiol I - ≥97% , CAS No.1072-71-5

CAS: 1072-71-5 Cat. No.: B100173 分子式: C₂H₂N₂S₃ 分子量: 150.25 Beilstein Registry Number: 113444 EC番号: 214-014-1

GRADE & PURITY ≥97%

Synonyms

[1,3,4]Thiadiazole-2,5-dithiol | UNII-2S78T9T08C | DTXSID6040115 | Usaf fa-4 | 1,3,4-Thiadiazol-dithiol-(2,5) | 2S78T9T08C | CAS-1072-71-5 | 2,5-Dimercapto-1,3,4-thiodiazole | Tox21_301157 | Usafa-8354 | 1,3,4-Thiadiazolidine-2,5-dithione | 5-sulfanyl-1,3

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

[1,3,4]Thiadiazole-2,5-dithiol | UNII-2S78T9T08C | DTXSID6040115 | Usaf fa-4 | 1,3,4-Thiadiazol-dithiol-(2,5) | 2S78T9T08C | CAS-1072-71-5 | 2,5-Dimercapto-1,3,4-thiodiazole | Tox21_301157 | Usafa-8354 | 1,3,4-Thiadiazolidine-2,5-dithione | 5-sulfanyl-1,3

仕様と純度

≥97%

保管条件

Protected from light,Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488192166
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488192166
• カノニカル・スマイル: C1(=S)NNC(=S)S1
• IUPAC Name: 1,3,4-thiadiazolidine-2,5-dithione
• InChIKey: BIGYLAKFCGVRAN-UHFFFAOYSA-N
• INCHI: 1S/C2H2N2S3/c5-1-3-4-2(6)7-1/h(H,3,5)(H,4,6)
• 異性体SMILES: C1(=S)NNC(=S)S1
• WGKドイツ: 2
• RTECS: XI3850000
• UN番号: 3077
• 包装グループ: III
• 分子量: 150.25
• Beilstein: 113444
• Reaxy-Rn: 113444
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113444&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiadiazole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as thiadiazoles. These are cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
• 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
• 感度: Light sensitive.
• 融点（°C）: 168°C
• 分子量: 150.300 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 149.938 Da
• Monoisotopic Mass: 149.938 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 106.000
• 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. Feng Li, Weidong Gu, Qiang Gao, Yi Tan, Cheng Li, Christian Sonne, Jianzhang Li, Ki-Hyun Kim.  (2023)  Scalable Underwater Adhesives with High-Strength, Long-Term, and Harsh-Environment Adhesion Enabled by Heterocyclic Chemistry.  ACS Applied Materials & Interfaces,      [PMID:37493476] [10.1021/acsami.3c07112]

2. Likang Fu, Shixing Wang, Guo Lin, Libo Zhang, Qiming Liu, Ju Fang, Chenhuinan Wei, Gang Liu.  (2019)  Post-functionalization of UiO-66-NH2 by 2,5-Dimercapto-1,3,4-thiadiazole for the high efficient removal of Hg(II) in water.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:30665107] [10.1016/j.jhazmat.2019.01.025]

3. MAO ZHOU, XIAOCAI LIANG, YUQING MIAO.  (2018)  BY MOLECULE ANCHORING TO PREPARE THE ULTRATHIN Ni LAYER WITH ELECTROCATALYTIC ACTIVITY TOWARD GLUCOSE.  SURFACE REVIEW AND LETTERS,      [PMID:] [10.1142/S0218625X18501007]

4. Yuan-yuan Zhang, Jin-juan Xing, Hu Tian, Lin Liu, Jian-hua Qian.  (2024)  Smart nanoarchitectonics of epoxy coating: Preparation, release behavior and self-healing performance based on mesoporous silica nano-containers loaded with DMTD inhibitors.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2024.108673]

5. Qiming Zhuo, Decheng Chen, Zenan Wang, Wei Han, Yongming Song, Wenli Liu, Peng Xi.  (2025)  Enhancing copper–molybdenum separation: The role of DMTD in flotation processes.  POWDER TECHNOLOGY,      [PMID:] [10.1016/j.powtec.2025.121642]

6. Yanyan Lu, Yu Qiao, Haoming Bao, Kang Chen, Yi Wei, Qian Zhao, Guo Kang Leon, Hongwen Zhang, Xing Yi Ling, Weiping Cai.  (2025)  Machine Learning-Driven Surface Plasmon-Enhanced Dual Spectroscopies Improve Recognition and Real-Time Monitoring of Hazardous Chemicals.  ANALYTICAL CHEMISTRY,      [PMID:40214208] [10.1021/acs.analchem.5c00545]

7. Jun Li, Qian Ao, Xinyu Wu, Hongping Yuan, Yu Zhang, Xiaoyu Li, Hailan Lian.  (2025)  Capsanthin/Bismuththiol/Epoxidized Soybean Oil/Eugenol: A Green Synthesis of Biobased Antifungal Coatings for Wood under LED Irradiation.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.5c04082]

8. Xiangzhe Lin, Junlin Wang, Xu Tang, Manru Yang, Nairong Chen, Feng Li, Fengxiang Zhang.  (2025)  2,5-Dimercapto-1,3,4-thiadiazole-modified gel electrolyte for reduced shuttle effect and enhanced redox kinetics of lithium–sulfur batteries.  RSC Advances,  15  (48): (41148-41155).  [PMID:41159075] [10.1039/D5RA06093A]

9. Xiaofan Li, Xiang Gao, Juan Qiu, Yan Wang, Kangwei Gongsun, Chunchao Chen, Changming Bu, Chaochen Li, Pengfei Zhang, Houyi Ma.  (2025)  Improvement of the anti-corrosion performance of copper via the synergy of thiol anchoring and thiol–epoxy crosslinking.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.165277]

10. Chengming Wu, Shaominan Yue, Jinman Liang, Guixuan Shang, Xinyuan Cheng, Xiaoying Hu, Xudong Lv, Xin Zhou.  (2026)  Biodiesel Production via the Esterification of Free Fatty Acids Catalyzed by Novel Recyclable and Reusable Thiadiazole-Based Solid Organic Acid Catalyst.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.6c00103]

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1072-71-5, the molecular formula is C2H2N2S3, and the molecular weight is 150.25 g/mol. InChIKey BIGYLAKFCGVRAN-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.