1,4-Benzenedithiol - ≥98%(GC) , CAS No.624-39-5

CAS: 624-39-5 Cat. No.: B151928 Molecular Weight: 142.23 Beilstein Registry Number: 6(4)5840 EC Number: 677-344-9

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00142541 | 1,4-Benzenedithiol | BBL103921 | Dithiohydroquinone | SCHEMBL64710 | GEO-04155 | CALCIUMUNDECYLENATE | C6H6S2 | 4-mercaptothiophenol | B1505 | DTXSID80405615 | AMY22355 | 1,4-Benzenendithiol | AKOS005207204 | MS-20722 | FT-0606769 | benzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Benzene-1,4-dithiol (BDT) is a class of aromatic dithiol that can be used to form a self-assembled monolayer (SAM) on a variety of surfaces.

Specifications

Synonyms

MFCD00142541 | 1, 4-Benzenedithiol | BBL103921 | Dithiohydroquinone | SCHEMBL64710 | GEO-04155 | CALCIUMUNDECYLENATE | C6H6S2 | 4-mercaptothiophenol | B1505 | DTXSID80405615 | AMY22355 | 1, 4-Benzenendithiol | AKOS005207204 | MS-20722 | FT-0606769 | benzene

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1S)S
• IUPAC Name: benzene-1,4-dithiol
• InChIKey: WYLQRHZSKIDFEP-UHFFFAOYSA-N
• INCHI: 1S/C6H6S2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
• Isomeric SMILES: C1=CC(=CC=C1S)S
• Molecular Weight: 142.23
• Beilstein: 6(4)5840
• Reaxy-Rn: 1680022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1680022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Benzene and substituted derivatives Thiols Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air & Moisture Sensitive
• Melt Point(°C): 96.0 - 99.0 °C
• Molecular Weight: 142.200 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.991 Da
• Monoisotopic Mass: 141.991 Da
• Topological Polar Surface Area: 2.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 54.900
• 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

References

1. Siyu Wei, Xinfang Wang, Xinyu Zhao, Ke Zhao, Linzhe Xu, Yingbo Chen.  (2023)  Detection of pesticide residues on flexible and transparent fluorinated polyimide film based on surface-enhanced Raman spectroscopy technology.  ANALYTICA CHIMICA ACTA,      [PMID:37977783] [10.1016/j.aca.2023.341958]

2. Zhenzhen Feng, Xiaomeng She, Jian Peng, Yujie Qiang, Song Zhang.  (2023)  Robust corrosion protection of Ni-thiolate coordination polymer/Mg(OH)2 coating on magnesium alloy AZ31.  Journal of Materials Research and Technology-JMR&T,      [PMID:] [10.1016/j.jmrt.2023.07.273]

3. Guangyuan Hu, Zhiwei Wang, Weiye Zhang, Hongxing He, Yi Zhang, Xiujun Deng, Weili Li.  (2023)  MIL-161 Metal–Organic Framework for Efficient Au(III) Recovery from Secondary Resources: Performance, Mechanism, and DFT Calculations.  MOLECULES,  28  (14): (5459).  [PMID:37513331] [10.3390/molecules28145459]

4. Qianqian Wang, Hao Cui, Xiaolin Wang, Ziyu Hu, Peipei Tao, Mingyang Li, Jianlong Wang, Yaping Tang, Hong Xu, Xiangming He.  (2023)  Exceptional Light Sensitivity by Thiol–Ene Click Lithography.  Journal of the American Chemical Society,      [PMID:36625511] [10.1021/jacs.2c11887]

5. Fu Wan, Yu Lei, Changding Wang, Xinyuan Zhang, Honglin He, Lei Jia, Tingting Wang, Weigen Chen.  (2022)  Highly sensitive and reproducible CNTs@Ag modified Flower-Like silver nanoparticles for SERS situ detection of transformer Oil-dissolved furfural.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:35228084] [10.1016/j.saa.2022.121067]

6. Haoyu Cai, Guojun Weng, Jianjun Li, Gaofeng Wu, Jian Zhu, Junwu Zhao.  (2025)  BDT mediated asymmetric deposition of Ag on gold nanobipyramids for SERS detection of drug residues in aquaculture water.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2025.136558]

7. Xinyuan Bi, Zhicheng He, Zhewen Luo, Wensi Huang, Xingxing Diao, Jian Ye.  (2024)  Digital colloid-enhanced Raman spectroscopy for the pharmacokinetic detection of bioorthogonal drugs.  Chemical Science,      [PMID:39144465] [10.1039/D4SC02553A]

8. Yizhan Wang, Yunhui Shi, Jiawei Qiu, JiaBao Cheng, Yao Xu, Yongxin Wang.  (2024)  Insights into molecular interactions at organic-MBene heterointerfaces for efficient Zn-ion storage.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:39241451] [10.1016/j.jcis.2024.08.247]

9. Jing Huang, Li Zou, Shuxiang Wang, Yijia Zhang, Pingping Yang, Wenyan Tao, Jiale Xie.  (2024)  In-situ electrochemical activation of a nickel metal-organic framework modified TiO2 photoanode for urea photoelectrocatalysis.  JOURNAL OF SOLID STATE CHEMISTRY,      [PMID:] [10.1016/j.jssc.2024.124779]

10. Qinglian Hu, Jingyu Li, Tong Wang, Xiangchi Xu, Yuxuan Duan, Yuanxiang Jin.  (2024)  Polyphenolic Nanoparticle-Modified Probiotics for Microenvironment Remodeling and Targeted Therapy of Inflammatory Bowel Disease.  ACS Nano,      [PMID:38720520] [10.1021/acsnano.4c00830]

11. Linchun Nie, Jiazhi Xia, Jiawei Liao, Na Liu, Meiling Xu, Dejing Meng, Wenjing Liu, Qingxiang Zhou, Chunmao Chen.  (2025)  Rapid visual detection of glutathione in vegetables and distinguishing multiple sulfur-containing compounds by smartphone-assisted sensor based on calcined PPy@CuNi-ZIF-67 nanozyme with enhanced oxidase-like activity.  FOOD CHEMISTRY,      [PMID:39919428] [10.1016/j.foodchem.2025.143189]

12. Linchun Nie, Liushan Jiang, Shuangying Li, Denghao Song, Guangyu Dong, Lutong Bu, Chunmao Chen, Qingxiang Zhou.  (2024)  Smartphone-assisted array discrimination of sulfur-containing compounds and colorimetric−fluorescence dual-mode sensor for detection of 1,4-benzenedithiol based on peroxidase-like nanozyme g-C3N4@Cu, N-CDs.  TALANTA,      [PMID:38640521] [10.1016/j.talanta.2024.126119]

13. Zhiru Yang, Zi Yang, Wentao Hou, Hai Zhou, Hao He, Chao Jin.  (2025)  CoNi-MOF-S with double optimization of crystal phase and electronic structure for quasi-solid-state supercapacitors.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2025.118217]

14. Yijie Yang, Shun Yao, Ying Li, Yuanhang Wu, Chang Li, Congshu Hang, Hui Li.  (2025)  Orientation growth modulation of Mo-Doped Ni3S2 heterostructures utilizing Polysulfide as a sulfur source and in-situ intercalation for enhanced electrocatalytic performance.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2025.118946]

15. Guoqian Li, Langlang Yi, Shiya Zhang, Qin Song, Minghui Liang, Zhihui Guan, Yao Zhang, Yuan Zhuang, Bo Hou, Xinyuan Wang, Xiaoyao Wu, Pengju Yin, Klyuyev Dmitriy, Jiang Yang, Bo Hu, Jie Tian.  (2025)  Concentration Indicator Kit Based on Dandelion Propagation-Inspired SERS Strategy.  ADVANCED MATERIALS,      [PMID:40534383] [10.1002/adma.202502162]