Cas no 81569-53-1 (5-Thiazolecarboxylicacid, 2-bromo-4-propyl-, methyl ester)
81569-53-1 structure
Product Name:5-Thiazolecarboxylicacid, 2-bromo-4-propyl-, methyl ester
CAS No:81569-53-1
MF:C8H10BrNO2S
MW:264.139500141144
CID:708125
PubChem ID:13015617
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 2-bromo-4-propyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 2-bromo-4-propyl-, methyl ester
- 5-Thiazolecarboxylicacid,2-bromo-4-propyl-,methylester(9CI)
- 81569-53-1
- Methyl 2-bromo-4-propyl-1,3-thiazole-5-carboxylate
-
- Inchi： 1S/C8H10BrNO2S/c1-3-4-5-6(7(11)12-2)13-8(9)10-5/h3-4H2,1-2H3
- InChI Key： DOLQIQLCNVXVCE-UHFFFAOYSA-N
- SMILES： BrC1=NC(=C(C(=O)OC)S1)CCC
Computed Properties
- Exact Mass: 262.96156g/mol
- Monoisotopic Mass: 262.96156g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 191
- 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: 3.4
- Topological Polar Surface Area: 67.4?2
5-Thiazolecarboxylicacid, 2-bromo-4-propyl-, methyl ester Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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
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