Cas no 62581-01-5 (2(3H)-Thiazolone, 4-(acetyloxy)-)
62581-01-5 structure
Product Name:2(3H)-Thiazolone, 4-(acetyloxy)-
CAS No:62581-01-5
MF:C5H5NO3S
MW:159.163100004196
CID:439408
PubChem ID:12327359
Update Time:2025-04-19
2(3H)-Thiazolone, 4-(acetyloxy)- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Thiazolone, 4-(acetyloxy)-
- (2-oxo-3H-1,3-thiazol-4-yl) acetate
- 2-Oxo-2,3-dihydro-1,3-thiazol-4-yl acetate
- DTXSID60489837
- 62581-01-5
-
- Inchi: 1S/C5H5NO3S/c1-3(7)9-4-2-10-5(8)6-4/h2H,1H3,(H,6,8)
- InChI Key: WUKHTBXBSZGCKL-UHFFFAOYSA-N
- SMILES: S1C(NC(=C1)OC(C)=O)=O
Computed Properties
- Exact Mass: 158.99905
- Monoisotopic Mass: 158.99901420g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 211
- 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: 0.2
- Topological Polar Surface Area: 80.7?2
Experimental Properties
- PSA: 55.4
2(3H)-Thiazolone, 4-(acetyloxy)- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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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
62581-01-5 (2(3H)-Thiazolone, 4-(acetyloxy)-) Related Products
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