≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=CC(=C1)S)S |
|---|---|
| IUPAC Name | benzene-1,3-dithiol |
| InChIKey | ZWOASCVFHSYHOB-UHFFFAOYSA-N |
| INCHI | 1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
| Isomeric SMILES | C1=CC(=CC(=C1)S)S |
| WGK Germany | 3 |
| Molecular Weight | 142.23 |
| Beilstein | 1634410 |
| Reaxy-Rn | 1634412 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634412&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 | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 E2627569 | Certificate of Analysis | May 11, 2026 | B489040 |
| E2627567 | Certificate of Analysis | May 11, 2026 | B489040 |
| E2627564 | Certificate of Analysis | May 11, 2026 | B489040 |
| C2628017 | Certificate of Analysis | Jan 29, 2026 | B489040 |
| C2628016 | Certificate of Analysis | Jan 29, 2026 | B489040 |
| B2606087 | Certificate of Analysis | Jan 29, 2026 | B489040 |
| B2606088 | Certificate of Analysis | Jan 29, 2026 | B489040 |
| L2515348 | Certificate of Analysis | Dec 05, 2025 | B489040 |
| K2507009 | Certificate of Analysis | Nov 11, 2025 | B489040 |
| D2603050 | Certificate of Analysis | Sep 04, 2025 | B489040 |
| I2517204 | Certificate of Analysis | Sep 04, 2025 | B489040 |
| I2518108 | Certificate of Analysis | Sep 04, 2025 | B489040 |
| B2506629 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| B2506628 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| B2506627 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| B2506625 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| B2506605 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| B2506604 | Certificate of Analysis | Jan 08, 2025 | B489040 |
| Solubility | Miscible with acetonitrile. |
|---|---|
| Sensitivity | Air Sensitive |
| Refractive Index | 1.6625 |
| Flash Point(°F) | 235.4 °F |
| Flash Point(°C) | 113 °C |
| Boil Point(°C) | 245 °C |
| Melt Point(°C) | 27°C(lit.) |
| Molecular Weight | 142.200 g/mol |
| XLogP3 | 2.200 |
| 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 | 64.900 |
| 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 |
| 1. Wenzhe Xu, Yang Chen, Ruixu Yang, Yiying Fu, Wanxin Zhuang, Yonggang Wang, Yi Liu, Hao Zhang. (2023) “Reaction”-Like Shaping of Self-Delivery Supramolecular Nanodrugs in the Nanoprecipitation Process. ACS Nano, [PMID:37668306] [10.1021/acsnano.3c05229] |
| 2. Ziwen Tao, Guotao Yi, Chao Zeng, Qianfen Zhuang, Yong Wang. (2022) Ultrasensitive detection of silver(I) ions based on water-soluble micellized phosphorescent silver nanoclusters co-protected by 1,3-benzenedithiol and triphenylphosphine. SENSORS AND ACTUATORS B-CHEMICAL, [PMID:] [10.1016/j.snb.2022.132382] |
| 3. 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] |
