Cas no 62020-65-9 (5-Isothiazolecarboxamide, 2,3-dihydro-2-methyl-3-oxo-)
62020-65-9 structure
Product Name:5-Isothiazolecarboxamide, 2,3-dihydro-2-methyl-3-oxo-
CAS No:62020-65-9
MF:C5H6N2O2S
MW:158.178339481354
CID:460517
PubChem ID:12318826
Update Time:2025-04-19
5-Isothiazolecarboxamide, 2,3-dihydro-2-methyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 5-Isothiazolecarboxamide, 2,3-dihydro-2-methyl-3-oxo-
- 5-Isothiazolecarboxamide,2,3-dihydro-2-methyl-3-oxo-(9CI)
- 2-Methyl-3-oxo-2,3-dihydro-1,2-thiazole-5-carboxamide
- 62020-65-9
- DTXSID00488208
-
- Inchi： 1S/C5H6N2O2S/c1-7-4(8)2-3(10-7)5(6)9/h2H,1H3,(H2,6,9)
- InChI Key： CKSIARBARMTFBV-UHFFFAOYSA-N
- SMILES： S1C(C(N)=O)=CC(N1C)=O
Computed Properties
- Exact Mass: 158.01508
- Monoisotopic Mass: 158.01499861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 224
- 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: -0.9
- Topological Polar Surface Area: 88.7?2
Experimental Properties
- PSA: 63.4
5-Isothiazolecarboxamide, 2,3-dihydro-2-methyl-3-oxo- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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