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Basic Description
| Synonyms | PTSI | p-Methylphenylsulfonyl isocyanate | TsNCO | Q27279783 | Benzenesulfonyl isocyanate, 4-methyl- | E76074 | DTXSID1027558 | Moxipraquina | EINECS 223-810-8 | P-METHYLBENZENESULFONYL ISOCYANATE | p-Toluenesulfonyl isocyanate, 96% | 21HN3N72PV | Amicarb |
|---|---|
| Specifications & Purity | ≥96% |
| Storage Temp | Store at 2-8°C,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Benzenesulfonamides
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Tosyl compounds Benzenesulfonyl compounds Sulfonyl isocyanates Organosulfonic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Sulfonyl isocyanate - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
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Associated Targets(Human)
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504755204 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755204 |
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| INCHI | InChI=1S/C8H7NO3S/c1-7-2-4-8(5-3-7)13(11,12)9-6-10/h2-5H,1H3 |
| InChIKey | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Smiles | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| WGK Germany | 1 |
| RTECS | DB9032000 |
| PubChem CID | 77703 |
| UN Number | 2206 |
| Molecular Weight | 197.21 |
| Beilstein | 391287 |
| Reaxy-Rn | 391287 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D2521441 |
Certificate of Analysis | Apr 10, 2025 | T106377 |
| D2521442 |
Certificate of Analysis | Apr 10, 2025 | T106377 |
| D2521443 |
Certificate of Analysis | Apr 10, 2025 | T106377 |
| L2418826 |
Certificate of Analysis | Oct 31, 2024 | T106377 |
| L2418832 |
Certificate of Analysis | Oct 31, 2024 | T106377 |
| L2418833 |
Certificate of Analysis | Oct 31, 2024 | T106377 |
| L2418862 |
Certificate of Analysis | Oct 31, 2024 | T106377 |
| G2409156 |
Certificate of Analysis | Jun 28, 2024 | T106377 |
| G2409146 |
Certificate of Analysis | Jun 28, 2024 | T106377 |
| G2409147 |
Certificate of Analysis | Jun 28, 2024 | T106377 |
| G2409157 |
Certificate of Analysis | Jun 28, 2024 | T106377 |
| C2405699 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| C2405703 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| C2405700 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| C2405697 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| C2405698 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| C2405701 |
Certificate of Analysis | Feb 23, 2024 | T106377 |
| A2431221 |
Certificate of Analysis | Dec 23, 2023 | T106377 |
| A2402366 |
Certificate of Analysis | Dec 23, 2023 | T106377 |
| A2402365 |
Certificate of Analysis | Dec 23, 2023 | T106377 |
| A2402368 |
Certificate of Analysis | Dec 23, 2023 | T106377 |
| A2402367 |
Certificate of Analysis | Dec 23, 2023 | T106377 |
| J2311252 |
Certificate of Analysis | Sep 13, 2023 | T106377 |
| J2311251 |
Certificate of Analysis | Sep 13, 2023 | T106377 |
| J2311265 |
Certificate of Analysis | Sep 13, 2023 | T106377 |
| J2311256 |
Certificate of Analysis | Sep 13, 2023 | T106377 |
| G2325074 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| B2315006 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| B2315017 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| B2315019 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| B2315009 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| B2315015 |
Certificate of Analysis | Feb 02, 2023 | T106377 |
| I2206059 |
Certificate of Analysis | Jan 20, 2022 | T106377 |
| B2217367 |
Certificate of Analysis | Jan 20, 2022 | T106377 |
| B2217377 |
Certificate of Analysis | Jan 20, 2022 | T106377 |
| B2217378 |
Certificate of Analysis | Jan 20, 2022 | T106377 |
| B2217379 |
Certificate of Analysis | Jan 20, 2022 | T106377 |
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Chemical and Physical Properties
| Solubility | Reacts with water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | 1.534 |
| Flash Point(°F) | 293 °F |
| Flash Point(°C) | 110℃ |
| Boil Point(°C) | 144°C |
| Melt Point(°C) | 5°C |
| Molecular Weight | 197.210 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 197.015 Da |
| Monoisotopic Mass | 197.015 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 303.000 |
| 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 |
Alternative Products
-
2-Chlorobenzenesulfonyl isocyanateStarting at $358.90
Citations of This Product
| 1. Xinran Cui, Yongbin Wang, Yan Zhan, Xiaoyan Chen. (2025) Development and validation of an LC-MS/MS method with precolumn derivatization for the determination of dimethoxyethyl phthalate metabolites ethylene glycol methyl ether and methoxyacetic acid in rat plasma. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 261 (116847). |
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