≥96% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488186101 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186101 |
| Canonical Smiles | CC1=CC(=C(C=C1C)CS)CS |
| IUPAC Name | [4,5-dimethyl-2-(sulfanylmethyl)phenyl]methanethiol |
| InChIKey | NNGQXIUDFKIVKI-UHFFFAOYSA-N |
| INCHI | 1S/C10H14S2/c1-7-3-9(5-11)10(6-12)4-8(7)2/h3-4,11-12H,5-6H2,1-2H3 |
| Isomeric SMILES | CC1=CC(=C(C=C1C)CS)CS |
| Molecular Weight | 198.34 |
| Reaxy-Rn | 1307966 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1307966&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 | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | o-Xylenes |
| Alternative Parents | Alkylthiols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-xylene - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions. |
| 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 |
|---|---|---|---|
 E2308402 | Certificate of Analysis | Mar 18, 2023 | B152758 |
| E2308407 | Certificate of Analysis | Mar 18, 2023 | B152758 |
| E2308408 | Certificate of Analysis | Mar 18, 2023 | B152758 |
| E2308427 | Certificate of Analysis | Mar 18, 2023 | B152758 |
| K2507062 | Certificate of Analysis | Mar 18, 2023 | B152758 |
| Solubility | Soluble in Chloroform |
|---|---|
| Melt Point(°C) | 69 °C |
| Molecular Weight | 198.400 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 198.054 Da |
| Monoisotopic Mass | 198.054 Da |
| Topological Polar Surface Area | 2.000 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 120.000 |
| 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 |
