Cas no 31119-05-8 (4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester)
31119-05-8 structure
Product Name:4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
CAS No:31119-05-8
MF:C9H12N2O3S
MW:228.268180847168
CID:1452134
PubChem ID:3477732
Update Time:2025-04-20
4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
- ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
- ethyl 2-(2-acetamidothiazol-4-yl)acetate
- ethyl 2-(2-acetylaminothiazol-4-yl)acetate
- (2-ACETYLAMINO-THIAZOL-4-YL)-ACETIC ACID ETHYL ESTER
- AKOS002984960
- SCHEMBL6220893
- 31119-05-8
- DB-342675
- DTXSID00392836
- Ethyl 2-acetylamino-4-thiazoleacetate
- INGKHJJPHOQNBJ-UHFFFAOYSA-N
-
- Inchi: 1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
- InChI Key: INGKHJJPHOQNBJ-UHFFFAOYSA-N
- SMILES: S1C=C(CC(=O)OCC)N=C1NC(C)=O
Computed Properties
- Exact Mass: 228.05696
- Monoisotopic Mass: 228.05686342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 248
- 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: 0.7
- Topological Polar Surface Area: 96.5?2
Experimental Properties
- PSA: 68.29
4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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