Cas no 399017-02-8 (Ethyl 2-phenyl-1,3-thiazole-5-carboxylate;hydrochloride)
399017-02-8 structure
Product Name:Ethyl 2-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
CAS No:399017-02-8
MF:C12H12ClNO2S
MW:269.747180938721
CID:2825719
PubChem ID:71359116
Update Time:2025-04-21
Ethyl 2-phenyl-1,3-thiazole-5-carboxylate;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- DTXSID10782981
- Ethyl 2-phenyl-1,3-thiazole-5-carboxylate--hydrogen chloride (1/1)
- 399017-02-8
- Ethyl 2-phenyl-1,3-thiazole-5-carboxylate;hydrochloride
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- Inchi： 1S/C12H11NO2S.ClH/c1-2-15-12(14)10-8-13-11(16-10)9-6-4-3-5-7-9;/h3-8H,2H2,1H3;1H
- InChI Key： UYKOCLTWNUVEGY-UHFFFAOYSA-N
- SMILES： Cl.S1C(C(=O)OCC)=CN=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 269.0277275Da
- Monoisotopic Mass: 269.0277275Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 241
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 67.4?2
Ethyl 2-phenyl-1,3-thiazole-5-carboxylate;hydrochloride Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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