Cas no 50680-74-5 (5-Thiazolecarboxylicacid, 2-propyl-, ethyl ester)
50680-74-5 structure
Product Name:5-Thiazolecarboxylicacid, 2-propyl-, ethyl ester
CAS No:50680-74-5
MF:C9H13NO2S
MW:199.27002120018
CID:382011
PubChem ID:21413783
Update Time:2025-04-19
5-Thiazolecarboxylicacid, 2-propyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 2-propyl-, ethyl ester
- 5-?Thiazolecarboxylic acid, 2-?propyl-?, ethyl ester
- ethyl 2-propylthiazole-5-carboxylate
- 2-Propyl-5-thiazolecarboxylic acid ethyl ester
- Ethyl 2-propyl-5-thiazolecarboxylate
- RU 18983
- SCHEMBL4989265
- ETHYL 2-PROPYL-1,3-THIAZOLE-5-CARBOXYLATE
- 50680-74-5
- ethyl 2-n-propylthiazol-5-carboxylate
- D87744
- ethyl 2-propyl-thiazole-5-carboxylate
- XMCNMSAYSUPIOF-UHFFFAOYSA-N
-
- Inchi： 1S/C9H13NO2S/c1-3-5-8-10-6-7(13-8)9(11)12-4-2/h6H,3-5H2,1-2H3
- InChI Key： XMCNMSAYSUPIOF-UHFFFAOYSA-N
- SMILES： S1C(C(=O)OCC)=CN=C1CCC
Computed Properties
- Exact Mass: 199.06669983g/mol
- Monoisotopic Mass: 199.06669983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 175
- 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: 67.4?2
5-Thiazolecarboxylicacid, 2-propyl-, ethyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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