| Pubchem Sid | 488185546 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488185546 |
| Sonrisas canónicas | CC1=CC=C(C=C1)CS |
| IUPAC Name | (4-methylphenyl)methanethiol |
| InChIKey | AGFYZLVFPSGUIX-UHFFFAOYSA-N |
| INCHI | 1S/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3 |
| Isómeros SMILES | CC1=CC=C(C=C1)CS |
| Número ONU | 2810 |
| Peso molecular | 138.22 |
| Reaxy-Rn | 2411317 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2411317&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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Toluenes |
| Alternative Parents | Alkylthiols Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Toluene - Alkylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 I2207879 | Certificate of Analysis | Jun 10, 2026 | M113646 |
| I2207880 | Certificate of Analysis | Jun 10, 2026 | M113646 |
| I2207881 | Certificate of Analysis | Jun 10, 2026 | M113646 |
| I2207882 | Certificate of Analysis | Jun 10, 2026 | M113646 |
| F2530389 | Certificate of Analysis | Jul 12, 2024 | M113646 |
| J2515677 | Certificate of Analysis | Jul 12, 2024 | M113646 |
| J2515678 | Certificate of Analysis | Jul 12, 2024 | M113646 |
| L2219103 | Certificate of Analysis | Dec 22, 2022 | M113646 |
| Sensibilidad | air sensitive |
|---|---|
| Índice de refracción | 1.5666 |
| Punto de inflamación (°F) | 85.6±8.9 ℃ |
| Punto de inflamación (°C) | 85.6±8.9 ℃ |
| Punto de ebullición (°C) | 116-118°C |
| Punto de fusión (°C) | 76℃ |
| Peso molecular | 138.230 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 138.05 Da |
| Monoisotopic Mass | 138.05 Da |
| Topological Polar Surface Area | 1.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 72.600 |
| 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. Yapeng Sun, Jiankai Zhang, Bo Yu, Shengwei Shi, Huangzhong Yu. (2023) Regulate defects and energy levels for perovskite solar cells by co-modification strategy. Nano Energy, [PMID:] [10.1016/j.nanoen.2023.109245] |
| 2. Nani Zhou, Le Shen, Zhen Dong, Jiahong Shen, Lihua Du, Xiping Luo. (2018) Enzymatic Synthesis of Thioesters from Thiols and Vinyl Esters in a Continuous-Flow Microreactor. Catalysts, 8 (6): (249). [PMID:] [10.3390/catal8060249] |
