Cas no 439905-17-6 (2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid)
2-(Cyanomethyl)-1,3-thiazole-4-carboxylic acid is a versatile heterocyclic compound featuring both a cyano and carboxylic acid functional group on a thiazole scaffold. This structure makes it a valuable intermediate in organic synthesis, particularly for the development of pharmaceuticals, agrochemicals, and specialty chemicals. The presence of reactive sites enables further derivatization, such as amidation or esterification, enhancing its utility in medicinal chemistry and material science. Its thiazole core contributes to potential biological activity, while the cyanomethyl group offers additional reactivity for cross-coupling or cyclization reactions. The compound is typically supplied with high purity, ensuring consistent performance in research and industrial applications.
439905-17-6 structure
Product Name:2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid
CAS No:439905-17-6
MF:C6H4N2O2S
MW:168.173159599304
CID:327275
PubChem ID:43140336
Update Time:2025-06-07
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylicacid, 2-(cyanomethyl)-
- 2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid
- 2-(cyanomethyl)thiazole-4-carboxylic acid
- EN300-144551
- UMPHVWYCARZMQP-UHFFFAOYSA-N
- 4-Thiazolecarboxylicacid,2-(cyanomethyl)-(9CI)
- 439905-17-6
- SCHEMBL1808305
- AKOS009313371
- DTXSID50655504
- 2-(cyanomethyl)thiazole-4-carboxylicacid
- 2-(cyanomethyl)-thiazole-4-carboxylic acid
-
- Inchi： 1S/C6H4N2O2S/c7-2-1-5-8-4(3-11-5)6(9)10/h3H,1H2,(H,9,10)
- InChI Key： UMPHVWYCARZMQP-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)O)N=C1CC#N
Computed Properties
- Exact Mass: 167.999
- Monoisotopic Mass: 167.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 210
- 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
- Topological Polar Surface Area: 102A^2
- XLogP3: 0.5
Experimental Properties
- Density: 1.516
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1581773-50mg |
2-(Cyanomethyl)thiazole-4-carboxylic acid |
439905-17-6 | 98% | 50mg |
￥18480.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1581773-100mg |
2-(Cyanomethyl)thiazole-4-carboxylic acid |
439905-17-6 | 98% | 100mg |
￥19355.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1581773-250mg |
2-(Cyanomethyl)thiazole-4-carboxylic acid |
439905-17-6 | 98% | 250mg |
￥20230.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1581773-500mg |
2-(Cyanomethyl)thiazole-4-carboxylic acid |
439905-17-6 | 98% | 500mg |
￥21123.00 | 2024-05-13 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1581773-1g |
2-(Cyanomethyl)thiazole-4-carboxylic acid |
439905-17-6 | 98% | 1g |
￥21980.00 | 2024-05-13 | |
| Enamine | EN300-144551-0.05g |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid |
439905-17-6 | 0.05g |
$1056.0 | 2023-02-15 | ||
| Enamine | EN300-144551-0.1g |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid |
439905-17-6 | 0.1g |
$1106.0 | 2023-02-15 | ||
| Enamine | EN300-144551-0.25g |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid |
439905-17-6 | 0.25g |
$1156.0 | 2023-02-15 | ||
| Enamine | EN300-144551-0.5g |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid |
439905-17-6 | 0.5g |
$1207.0 | 2023-02-15 | ||
| Enamine | EN300-144551-1.0g |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid |
439905-17-6 | 1g |
$0.0 | 2023-06-06 |
2-(cyanomethyl)-1,3-thiazole-4-carboxylic acid Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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