Cas no 1213234-89-9 (2-ethynyl-5-Thiazolecarboxylic acid methyl ester)
1213234-89-9 structure
Product Name:2-ethynyl-5-Thiazolecarboxylic acid methyl ester
CAS No:1213234-89-9
MF:C7H5NO2S
MW:167.185100317001
CID:1101940
PubChem ID:77231345
Update Time:2025-04-20
2-ethynyl-5-Thiazolecarboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-ethynyl-5-Thiazolecarboxylic acid methyl ester
- methyl 2-ethynylthiazole-5-carboxylate
- DA-14316
- SCHEMBL1967862
- 1213234-89-9
- HYMDHCXDWLJTLO-UHFFFAOYSA-N
- Methyl 2-ethynyl-1,3-thiazole-5-carboxylate
-
- Inchi： 1S/C7H5NO2S/c1-3-6-8-4-5(11-6)7(9)10-2/h1,4H,2H3
- InChI Key： HYMDHCXDWLJTLO-UHFFFAOYSA-N
- SMILES： S1C(C#C)=NC=C1C(=O)OC
Computed Properties
- Exact Mass: 167.00409958g/mol
- Monoisotopic Mass: 167.00409958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 208
- 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: 1.4
- Topological Polar Surface Area: 67.4?2
2-ethynyl-5-Thiazolecarboxylic acid methyl ester Related Literature
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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