≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Description
Need help choosing the correct RAFT Agent? Please consult the RAFT Agent to Monomercompatibility table.RAFT agent for controlled radical polymerization; especially suited for the polymerization of methyl methacrylate and styrene monomers. Chain Transfer Agent (CTA)
| Canonical Smiles | CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N |
|---|---|
| IUPAC Name | 2-cyanopropan-2-yl 4-cyanobenzenecarbodithioate |
| InChIKey | GLQSCQVGVPUIPC-UHFFFAOYSA-N |
| INCHI | 1S/C12H10N2S2/c1-12(2,8-14)16-11(15)10-5-3-9(7-13)4-6-10/h3-6H,1-2H3 |
| Isomeric SMILES | CC(C)(C#N)SC(=S)C1=CC=C(C=C1)C#N |
| Molecular Weight | 246.35 |
| Reaxy-Rn | 10662433 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10662433&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 | Benzonitriles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzonitriles |
| Alternative Parents | Carbodithioic acid esters Sulfenyl compounds Nitriles Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Carbodithioic ester - Sulfenyl compound - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. |
| External Descriptors | Not available |
| Sensitivity | light sensitive |
|---|---|
| Flash Point(°F) | Not applicable |
| Flash Point(°C) | Not applicable |
| Melt Point(°C) | 122-127℃ |
| Molecular Weight | 246.400 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 246.029 Da |
| Monoisotopic Mass | 246.029 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 361.000 |
| 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. Gong Chen, Yuan Yuan, Ying Li, Zushun Xu, Qianyuan He, Zizhen Qin, Han Hu, Congcong Gao, Qi Xu, Qinglei Gao, Fei Li. (2024) Enhancing Oncolytic Virus Efficiency with Methionine and N-(3-guanidinopropyl)methacrylamide Modified Acrylamide Cationic Block Polymer. Journal of Materials Chemistry B, [PMID:38530281] [10.1039/D3TB03016D] |
