Cas no 78502-77-9 (5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester)
78502-77-9 structure
Product Name:5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester
CAS No:78502-77-9
MF:C7H8BrNO2S
MW:250.112919807434
CID:553296
PubChem ID:45117624
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester
- 5-Thiazolecarboxylicacid,4-(bromomethyl)-,ethylester(9CI)
- 4'-Brommethyl-5',5'-dimethylspiro<cyclopentan-1,2'-<1,3>dioxolan>
- 4-Brommethyl-5-thiazolcarbonsaeure-ethylester
- Ethyl 4-(bromomethyl)-1,3-thiazole-5-carboxylate
- 78502-77-9
- SCHEMBL21518879
-
- Inchi： 1S/C7H8BrNO2S/c1-2-11-7(10)6-5(3-8)9-4-12-6/h4H,2-3H2,1H3
- InChI Key： ZCZUAHYAXUORID-UHFFFAOYSA-N
- SMILES： BrCC1=C(C(=O)OCC)SC=N1
Computed Properties
- Exact Mass: 248.94600
- Monoisotopic Mass: 248.946
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 168
- 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: 67.4A^2
- XLogP3: 2.1
Experimental Properties
- PSA: 67.43000
- LogP: 2.21470
5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester 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%
5-Thiazolecarboxylicacid, 4-(bromomethyl)-, ethyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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