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

CAS: 1072-71-5 Cat. No.: B100173 Peso molecular: 150.25 Beilstein Registry Number: 113444 Número EC: 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,Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

[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

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Protected from light, Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192166
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192166
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1(=S)NNC(=S)S1
• WGK Alemania: 2
• RTECS: XI3850000
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 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
    • Clase Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Soluble in water
• Sensibilidad: Light sensitive.
• Punto de fusión (°C): 168°C
• Peso molecular: 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

Referencias

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]