Cas no 1627894-69-2 (2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid)
2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid is a fluorinated heterocyclic compound featuring a thiazole core with a difluoromethyl substituent at the 2-position and a carboxylic acid functional group at the 4-position. This structure imparts unique physicochemical properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The difluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid moiety allows for further derivatization. Its reactivity and selectivity make it suitable for constructing complex molecules, particularly in the development of bioactive compounds. The compound’s high purity and well-defined structure ensure consistent performance in synthetic applications.
1627894-69-2 structure
Product Name:2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid
CAS No:1627894-69-2
MF:C5H3F2NO2S
MW:179.14462685585
CID:6333230
PubChem ID:84767745
Update Time:2025-05-27
2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1627894-69-2
- QTRKYJCDZMCUNB-UHFFFAOYSA-N
- SCHEMBL16011602
- 2-(difluoromethyl)-1,3-thiazole-4-carboxylic acid
- EN300-4698514
- 2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid
-
- Inchi： 1S/C5H3F2NO2S/c6-3(7)4-8-2(1-11-4)5(9)10/h1,3H,(H,9,10)
- InChI Key： QTRKYJCDZMCUNB-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)O)N=C1C(F)F
Computed Properties
- Exact Mass: 178.98525584g/mol
- Monoisotopic Mass: 178.98525584g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 167
- 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: 1.5
- Topological Polar Surface Area: 78.4?2
2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| 1PlusChem | 1P028P7H-50mg |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 50mg |
$286.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-100mg |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 100mg |
$399.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-250mg |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 250mg |
$560.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-500mg |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 500mg |
$848.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-1g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 1g |
$1067.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-2.5g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 2.5g |
$2032.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-5g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 5g |
$2979.00 | 2024-06-19 | |
| 1PlusChem | 1P028P7H-10g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylicacid |
1627894-69-2 | 95% | 10g |
$4388.00 | 2024-06-19 | |
| Enamine | EN300-4698514-0.05g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylic acid |
1627894-69-2 | 95.0% | 0.05g |
$188.0 | 2025-03-15 | |
| Enamine | EN300-4698514-0.1g |
2-(difluoromethyl)-1,3-thiazole-4-carboxylic acid |
1627894-69-2 | 95.0% | 0.1g |
$282.0 | 2025-03-15 |
2-(Difluoromethyl)-1,3-thiazole-4-carboxylic acid Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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