Cas no 189281-93-4 (1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene)
189281-93-4 structure
Product Name:1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene
CAS No:189281-93-4
MF:C8H5F2NS2
MW:217.258805990219
CID:115595
PubChem ID:2392400
Update Time:2025-04-18
1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-[(difluoromethyl)thio]-4-isothiocyanato-
- 1-(difluoromethylsulfanyl)-4-isothiocyanatobenzene
- Benzene, 1-[(difluoromethyl)thio]-4-isothiocyanato- (9CI)
- AKOS000115256
- Z56891382
- Benzene, 1-[(difluoromethyl)thio]-4-isothiocyanato-
- DTXSID50368440
- HMS1722F05
- 1-Difluoromethylsulfanyl-4-isothiocyanato-benzene
- 1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene
- EN300-01250
- 189281-93-4
- 1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene
-
- Inchi： 1S/C8H5F2NS2/c9-8(10)13-7-3-1-6(2-4-7)11-5-12/h1-4,8H
- InChI Key： IAEWPVPRODRVHA-UHFFFAOYSA-N
- SMILES： S(C(F)F)C1C=CC(=CC=1)N=C=S
Computed Properties
- Exact Mass: 216.98325
- Monoisotopic Mass: 216.98314783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 4.8
- Topological Polar Surface Area: 69.8?2
Experimental Properties
- PSA: 12.36
1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D591698-50mg |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D591698-100mg |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 100mg |
$ 95.00 | 2022-06-05 | ||
| TRC | D591698-500mg |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 500mg |
$ 320.00 | 2022-06-05 | ||
| Enamine | EN300-01250-0.05g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 0.05g |
$42.0 | 2025-02-21 | |
| Enamine | EN300-01250-0.1g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 0.1g |
$66.0 | 2025-02-21 | |
| Enamine | EN300-01250-0.25g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 0.25g |
$92.0 | 2025-02-21 | |
| Enamine | EN300-01250-0.5g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 0.5g |
$175.0 | 2025-02-21 | |
| Enamine | EN300-01250-1.0g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 1.0g |
$256.0 | 2025-02-21 | |
| Enamine | EN300-01250-2.5g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 2.5g |
$503.0 | 2025-02-21 | |
| Enamine | EN300-01250-5.0g |
1-[(difluoromethyl)sulfanyl]-4-isothiocyanatobenzene |
189281-93-4 | 95.0% | 5.0g |
$743.0 | 2025-02-21 |
1-(difluoromethyl)sulfanyl-4-isothiocyanatobenzene Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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