≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | 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 |
| Isomeric SMILES | C(CCS)CS |
| WGK Germany | 3 |
| Molecular Weight | 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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | 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 |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2610219 | Certificate of Analysis | May 28, 2026 | B419814 |
| F2610220 | Certificate of Analysis | May 28, 2026 | B419814 |
| F2610243 | Certificate of Analysis | May 28, 2026 | B419814 |
| F2610244 | Certificate of Analysis | May 28, 2026 | B419814 |
| J2523051 | Certificate of Analysis | Sep 13, 2022 | B419814 |
| K2202227 | Certificate of Analysis | Sep 13, 2022 | B419814 |
| K2202276 | Certificate of Analysis | Sep 13, 2022 | B419814 |
| K2202277 | Certificate of Analysis | Sep 13, 2022 | B419814 |
| K2202313 | Certificate of Analysis | Sep 13, 2022 | B419814 |
| Sensitivity | Air sensitive |
|---|---|
| Refractive Index | 1.5280 to 1.5330 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 70°C |
| Boil Point(°C) | 195°C |
| Molecular Weight | 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 |
| 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] |
