1,4-Butanedithiol - ≥95%(GC) , CAS No.1191-08-8

CAS: 1191-08-8 Cat. No.: B152757 Peso molecular: 122.24 Beilstein Registry Number: 1697080 Número EC: 214-728-3

GRADE & PURITY ≥95%(GC)

Synonyms

D88698 | Tetramethylenedithiol | BAA19108 | 1219805-46-5 | FT-0606815 | 7JD227IUMC | Tetramethylene dimercaptan | EN300-190958 | 1,4-Dimercaptobutane | N-ethyl-N-benzylamine | 1,4-Butanedithiol | 1,4-Butanedithiol, 97% | B0829 | NSC 60198 | 1,4-Butanedith

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

D88698 | Tetramethylenedithiol | BAA19108 | 1219805-46-5 | FT-0606815 | 7JD227IUMC | Tetramethylene dimercaptan | EN300-190958 | 1, 4-Dimercaptobutane | N-ethyl-N-benzylamine | 1, 4-Butanedithiol | 1, 4-Butanedithiol, 97% | B0829 | NSC 60198 | 1, 4-Butanedith

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: C(CCS)CS
• IUPAC Name: butane-1,4-dithiol
• InChIKey: SMTOKHQOVJRXLK-UHFFFAOYSA-N
• INCHI: 1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
• Isómeros SMILES: C(CCS)CS
• WGK Alemania: 3
• Peso molecular: 122.24
• Beilstein: 1697080
• Reaxy-Rn: 1697080
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
• 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

• Sensibilidad: Air sensitive
• Índice de refracción: 1.5280 to 1.5330
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 70°C
• Punto de ebullición (°C): 195°C
• Peso molecular: 122.300 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 122.022 Da
• Monoisotopic Mass: 122.022 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 17.500
• 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. Yao Zhao, Xiao Wang, Yongjin Hu, Jinghua Zhao, Mei Sun, Mingdi Yang, Han Xuan, Xianbiao Wang, Jingyan Zhang, Zhiyuan Zhu, Jingyi Rao.  (2023)  Enhanced Synergistic Antibacterial and Antibiofilm Efficacy of Main-Chain Polysulfoniums with Antibiotics by Balancing Charge Density and Amphiphilicity.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00572]

2. Yunfan Xu, Mengdong Guo, Shilong Lu, Zengyue Wei, Shengyu Feng.  (2022)  Synthesis and characterization of novel poly(sulfone siloxane)s with good solubility and recyclability based on siloxane units.  NEW JOURNAL OF CHEMISTRY,  46  (21): (10237-10245).  [PMID:] [10.1039/D2NJ00934J]

3. Xu Han, Zhijian Pan, Le Chang, Yumei Ji, Zeqian Wang, Feng Liu.  (2024)  Effect of Hard Segment Content and Molecular Weight of Liquid Polysulfide on the Microphase Separation Structure–Property of One-Component Polysulfide Adhesives.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.56577]

4. Shi-Si Li, Jun-Lin Pan, Xi-Long Chen, Jing Xu, Zi-Long Li, Chunzu Cheng.  (2024)  Synthesis of long-chain aliphatic poly(β-thioester)s via thiol-Michael polyaddition and their applications in noble metal recovery and information encryption.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2024.113290]

5. Wang Luping, Zhang Kaiqiang, Hou Kaiyang, Xia Yuguo, Wang Xu.  (2025)  Bridging small molecule calculations and predictable polymer mechanical properties.  Nature Communications,  16  (1): (1-11).  [PMID:40730585] [10.1038/s41467-025-62449-8]

6. Zhaoyang Zhang, Shengkui Ma, Jianfeng Gao.  (2025)  Study on Photodeformation of Solvent Resistance in Hydrogen-Bonded Cross-Linked Main-Chain Azobenzene Films.  MOLECULES,  30  (10): (2106).  [PMID:40430280] [10.3390/molecules30102106]