Cas no 844891-06-1 (3-(2-methyl-1,3-thiazol-4-yl)benzonitrile)
3-(2-Methyl-1,3-thiazol-4-yl)benzonitrile is a heterocyclic aromatic compound featuring a benzonitrile core linked to a 2-methylthiazole moiety. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The presence of both the nitrile and thiazole groups enhances its reactivity, enabling diverse functionalization for applications in drug discovery and material science. Its stability under standard conditions and compatibility with common organic reactions further contribute to its utility in multi-step synthetic routes. The compound’s well-defined molecular architecture also facilitates precise modifications for targeted research applications.
844891-06-1 structure
Product Name:3-(2-methyl-1,3-thiazol-4-yl)benzonitrile
CAS No:844891-06-1
MF:C11H8N2S
MW:200.259620666504
MDL:MFCD06659064
CID:719682
PubChem ID:2795383
Update Time:2025-06-09
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,3-(2-methyl-4-thiazolyl)-
- 3-(2-Methyl-1,3-thiazol-4-yl)benzonitrile
- OR9688
- DTXSID40383647
- 3-(2-Methylthiazol-4-yl)benzonitrile
- CS-0265130
- MFCD06659064
- SCHEMBL10094734
- AKOS012453510
- EN300-96594
- 844891-06-1
- Z1095336484
- AS-9066
- 3-(2-methyl-1,3-thiazol-4-yl)benzonitrile
-
- MDL： MFCD06659064
- Inchi： 1S/C11H8N2S/c1-8-13-11(7-14-8)10-4-2-3-9(5-10)6-12/h2-5,7H,1H3
- InChI Key： GTYJGNFTLCURAQ-UHFFFAOYSA-N
- SMILES： S1C=C(C2C=CC=C(C#N)C=2)N=C1C
Computed Properties
- Exact Mass: 200.04100
- Monoisotopic Mass: 200.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 245
- 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: 2.7
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- Density: 1.25
- Melting Point: 112 °C
- Boiling Point: 362.9°C at 760 mmHg
- Flash Point: 173.3°C
- Refractive Index: 1.629
- PSA: 64.92000
- LogP: 2.99018
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile Customs Data
- HS CODE：2934100090
- Customs Data：
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B101563-5mg |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 5mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B101563-10mg |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 10mg |
$ 65.00 | 2022-06-07 | ||
| TRC | B101563-50mg |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 50mg |
$ 95.00 | 2022-06-07 | ||
| Chemenu | CM526135-1g |
3-(2-Methylthiazol-4-yl)benzonitrile |
844891-06-1 | 97% | 1g |
$70 | 2023-01-04 | |
| Chemenu | CM526135-5g |
3-(2-Methylthiazol-4-yl)benzonitrile |
844891-06-1 | 97% | 5g |
$191 | 2023-01-04 | |
| Apollo Scientific | OR9688-1g |
3-(2-Methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 1g |
￡60.00 | 2023-09-02 | ||
| abcr | AB248578-1 g |
3-(2-Methyl-1,3-thiazol-4-yl)benzonitrile; 95% |
844891-06-1 | 1g |
€92.90 | 2023-02-05 | ||
| Enamine | EN300-96594-0.05g |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 95.0% | 0.05g |
$19.0 | 2025-03-21 | |
| Enamine | EN300-96594-0.1g |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 95.0% | 0.1g |
$19.0 | 2025-03-21 | |
| Enamine | EN300-96594-0.25g |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile |
844891-06-1 | 95.0% | 0.25g |
$25.0 | 2025-03-21 |
3-(2-methyl-1,3-thiazol-4-yl)benzonitrile Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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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
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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