Cas no 676553-12-1 (2-Amino-5-nitrothiazole monoethanol solvate)
676553-12-1 structure
Product Name:2-Amino-5-nitrothiazole monoethanol solvate
CAS No:676553-12-1
MF:C5H9N3O3S
MW:191.208259344101
CID:2798166
PubChem ID:71367832
Update Time:2025-04-21
2-Amino-5-nitrothiazole monoethanol solvate Chemical and Physical Properties
Names and Identifiers
-
- Ethanol--5-nitro-1,3-thiazol-2-amine (1/1)
- 2-Amino-5-nitrothiazole monoethanol solvate
- DTXSID60790935
- 676553-12-1
-
- Inchi： 1S/C3H3N3O2S.C2H6O/c4-3-5-1-2(9-3)6(7)8;1-2-3/h1H,(H2,4,5);3H,2H2,1H3
- InChI Key： FHZQLSFIIORUQU-UHFFFAOYSA-N
- SMILES： S1C(N)=NC=C1[N+](=O)[O-].OCC
Computed Properties
- Exact Mass: 191.03646233Da
- Monoisotopic Mass: 191.03646233Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 127
- 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: 133?2
2-Amino-5-nitrothiazole monoethanol solvate Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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