Cas no 55327-26-9 (5-Thiazolecarboxaldehyde, 2-(4-ethoxyphenyl)-4-methyl-)
55327-26-9 structure
Product Name:5-Thiazolecarboxaldehyde, 2-(4-ethoxyphenyl)-4-methyl-
CAS No:55327-26-9
MF:C13H13NO2S
MW:247.3128221035
CID:352226
PubChem ID:12307268
Update Time:2025-04-19
5-Thiazolecarboxaldehyde, 2-(4-ethoxyphenyl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxaldehyde, 2-(4-ethoxyphenyl)-4-methyl-
- 2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbaldehyde
- 55327-26-9
- DTXSID10486896
-
- Inchi： 1S/C13H13NO2S/c1-3-16-11-6-4-10(5-7-11)13-14-9(2)12(8-15)17-13/h4-8H,3H2,1-2H3
- InChI Key： GUGMIPULVNZZJI-UHFFFAOYSA-N
- SMILES： S1C(C=O)=C(C)N=C1C1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 247.06679
- Monoisotopic Mass: 247.06669983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 254
- 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: 3.1
- Topological Polar Surface Area: 67.4?2
Experimental Properties
- PSA: 39.19
5-Thiazolecarboxaldehyde, 2-(4-ethoxyphenyl)-4-methyl- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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