≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186942 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186942 |
| Canonical Smiles | C1=CC(=C(C=C1Cl)Cl)CS |
| IUPAC Name | (2,4-dichlorophenyl)methanethiol |
| InChIKey | ZSPXTTVUJDSRNJ-UHFFFAOYSA-N |
| INCHI | 1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2 |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)Cl)CS |
| Molecular Weight | 193.09 |
| Beilstein | 6(4)2782 |
| Reaxy-Rn | 509602 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509602&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 | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Aryl chlorides Alkylthiols Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
| Solubility | Insoluble in water |
|---|---|
| Refractive Index | 1.6 |
| Flash Point(°F) | 212°F |
| Flash Point(°C) | >100°C |
| Boil Point(°C) | 115°C/2mmHg(lit.) |
| Molecular Weight | 193.090 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 191.957 Da |
| Monoisotopic Mass | 191.957 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 108.000 |
| 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 |
| 1. Luo Huihui, Tian Shuainan, Liang Hongliang, Wang He, Gao Shuang, Dai Wen. (2023) Oxidative cleavage and ammoxidation of organosulfur compounds via synergistic Co-Nx sites and Co nanoparticles catalysis. Nature Communications, 14 (1): (1-13). [PMID:37221164] [10.1038/s41467-023-38614-2] |
| 2. Jing Fan, Wenzhuo Pan, Mao Guan, Changrong Shi, Kai Li, Liangliang An, Chuanling Si, Yuxin Liu. (2025) Fabrication of nitrogen-dotted lignin-based hypercrosslinked porous polymer and its pyrolytic carbonized materials for capturing CO2. INDUSTRIAL CROPS AND PRODUCTS, [PMID:] [10.1016/j.indcrop.2025.120457] |
B2322727