Cas no 90176-55-9 (2H-Imidazole-2-thione, 1,3-dihydro-, hydrate (2:1))
90176-55-9 structure
Product Name:2H-Imidazole-2-thione, 1,3-dihydro-, hydrate (2:1)
CAS No:90176-55-9
MF:C6H10N4OS2
MW:218.299797534943
CID:792530
PubChem ID:71429858
Update Time:2025-04-19
2H-Imidazole-2-thione, 1,3-dihydro-, hydrate (2:1) Chemical and Physical Properties
Names and Identifiers
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- 2H-Imidazole-2-thione, 1,3-dihydro-, hydrate (2:1)
- 1,3-dihydroimidazole-2-thione,hydrate
- 90176-55-9
- 1,3-Dihydro-2H-imidazole-2-thione--water (2/1)
- DTXSID30848518
- 1,3-Dihydro-2H-imidazole-2-thione hemihydrate
-
- Inchi： 1S/2C3H4N2S.H2O/c2*6-3-4-1-2-5-3;/h2*1-2H,(H2,4,5,6);1H2
- InChI Key： RURKRUSKFCYAES-UHFFFAOYSA-N
- SMILES： S=C1NC=CN1.S=C1NC=CN1.O
Computed Properties
- Exact Mass: 218.02960330g/mol
- Monoisotopic Mass: 218.02960330g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 87
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 113?2
2H-Imidazole-2-thione, 1,3-dihydro-, hydrate (2:1) Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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