Cas no 1891398-70-1 (2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile)
2-{3-(Difluoromethyl)sulfanylphenyl}acetonitrile is a fluorinated organic compound featuring a difluoromethylthio (–SCF?H) substituent at the meta position of a phenyl ring, coupled with an acetonitrile functional group. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The difluoromethylthio moiety enhances metabolic stability and lipophilicity, while the nitrile group offers versatility for further derivatization. Its well-defined chemical properties ensure consistent performance in cross-coupling reactions, nucleophilic substitutions, and other transformations. The compound is characterized by high purity and stability under standard handling conditions, making it suitable for research and industrial applications requiring precise fluorinated building blocks.
1891398-70-1 structure
Product Name:2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile
CAS No:1891398-70-1
MF:C9H7F2NS
MW:199.22038769722
CID:5821738
PubChem ID:20487627
Update Time:2025-06-08
2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile
- SCHEMBL11155035
- 2-[3-(difluoromethylsulfanyl)phenyl]acetonitrile
- 1891398-70-1
- EN300-1972375
- GNCNNOMBAPJJSU-UHFFFAOYSA-N
- 2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile
-
- Inchi： 1S/C9H7F2NS/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4H2
- InChI Key： GNCNNOMBAPJJSU-UHFFFAOYSA-N
- SMILES： S(C(F)F)C1=CC=CC(CC#N)=C1
Computed Properties
- Exact Mass: 199.02672673g/mol
- Monoisotopic Mass: 199.02672673g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 199
- 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
- Topological Polar Surface Area: 49.1?2
2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1972375-0.05g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 0.05g |
$1068.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-0.1g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 0.1g |
$1119.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-0.25g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 0.25g |
$1170.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-0.5g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 0.5g |
$1221.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-1.0g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 1g |
$1272.0 | 2023-06-01 | ||
| Enamine | EN300-1972375-2.5g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 2.5g |
$2492.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-5.0g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 5g |
$3687.0 | 2023-06-01 | ||
| Enamine | EN300-1972375-10.0g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 10g |
$5467.0 | 2023-06-01 | ||
| Enamine | EN300-1972375-1g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 1g |
$1272.0 | 2023-09-16 | ||
| Enamine | EN300-1972375-5g |
2-{3-[(difluoromethyl)sulfanyl]phenyl}acetonitrile |
1891398-70-1 | 5g |
$3687.0 | 2023-09-16 |
2-{3-(difluoromethyl)sulfanylphenyl}acetonitrile Related Literature
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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