Cas no 237424-20-3 (2-(Trifluoromethylthio)phenylacetonitrile)
2-(Trifluoromethylthio)phenylacetonitrile is a versatile organofluorine compound featuring a phenylacetonitrile core substituted with a trifluoromethylthio (–SCF?) group at the ortho position. The –SCF? moiety imparts enhanced lipophilicity and metabolic stability, making it valuable in medicinal chemistry and agrochemical applications. Its electron-withdrawing properties and steric effects influence reactivity, enabling selective transformations in synthetic pathways. The compound serves as a key intermediate for constructing trifluoromethylthio-containing heterocycles or bioactive molecules, leveraging the unique characteristics of the SCF? group (e.g., high electronegativity, resistance to oxidation). Its crystalline form ensures handling stability, while the nitrile group offers further derivatization potential via hydrolysis or nucleophilic addition. Suitable for palladium-catalyzed cross-coupling or radical reactions, it is particularly useful in pharmaceutical research for modulating pharmacokinetic properties.
237424-20-3 structure
Product Name:2-(Trifluoromethylthio)phenylacetonitrile
CAS No:237424-20-3
MF:C9H6F3NS
MW:217.210851192474
MDL:MFCD00236352
CID:245491
PubChem ID:2777903
Update Time:2025-07-02
2-(Trifluoromethylthio)phenylacetonitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,2-[(trifluoromethyl)thio]-
- 2-(TRIFLUOROMETHYLTHIO)PHENYLACETONITRILE
- 2-{2-[(Trifluoromethyl)Sulfanyl]Phenyl}Acetonitrile
- 2-trifluoromethylthiophenylacetonitrile
- AC1MCS3H
- AC1Q4KJH
- CTK4F2152
- PC3266
- SureCN1570172
- 237424-20-3
- 2-[2-(trifluoromethylsulfanyl)phenyl]acetonitrile
- SCHEMBL1570172
- PS-7919
- 2-(2-(trifluoromethylthio)phenyl)acetonitrile
- 2-((Trifluoromethyl)thio)phenylacetonitrile
- MFCD00236352
- DTXSID10380704
- 2-(2-((Trifluoromethyl)thio)phenyl)acetonitrile
- AKOS015853061
- IVQSJULZJSTFJM-UHFFFAOYSA-N
- CS-0323922
- {2-[(Trifluoromethyl)sulphanyl]phenyl}acetonitrile
- 2-(Trifluoromethylthio)phenylacetonitrile
-
- MDL： MFCD00236352
- Inchi： 1S/C9H6F3NS/c10-9(11,12)14-8-4-2-1-3-7(8)5-6-13/h1-4H,5H2
- InChI Key： IVQSJULZJSTFJM-UHFFFAOYSA-N
- SMILES： S(C(F)(F)F)C1C=CC=CC=1CC#N
Computed Properties
- Exact Mass: 217.01738
- Monoisotopic Mass: 217.017
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.3
- Topological Polar Surface Area: 49.1?2
Experimental Properties
- PSA: 23.79
2-(Trifluoromethylthio)phenylacetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005536-250mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 250mg |
1120CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 005536-250mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 250mg |
1120.0CNY | 2021-07-13 | ||
| TRC | T900193-10mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T900193-50mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 50mg |
$ 65.00 | 2022-06-02 | ||
| TRC | T900193-100mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 100mg |
$ 80.00 | 2022-06-02 | ||
| Apollo Scientific | PC3266-1g |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 98% | 1g |
￡98.00 | 2023-09-02 | |
| Apollo Scientific | PC3266-5g |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 98% | 5g |
￡260.00 | 2023-09-02 | |
| abcr | AB128242-250 mg |
2-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
237424-20-3 | 98% | 250MG |
€124.50 | 2022-06-12 | |
| abcr | AB128242-250mg |
2-(Trifluoromethylthio)phenylacetonitrile, 98%; . |
237424-20-3 | 98% | 250mg |
€124.50 | 2024-04-18 | |
| Oakwood | 008017-250mg |
2-(Trifluoromethylthio)phenylacetonitrile |
237424-20-3 | 250mg |
$135.00 | 2024-07-19 |
2-(Trifluoromethylthio)phenylacetonitrile Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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