Cas no 68967-31-7 (7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one)
![7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one structure](https://ossimg.kuujia.com/scimg/69000/68967-31-7x500.png)
68967-31-7 structure
Product Name:7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CAS No:68967-31-7
MF:C6H5N3OS2
MW:199.253397703171
CID:392412
PubChem ID:1485814
Update Time:2024-03-01
7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Chemical and Physical Properties
Names and Identifiers
-
- 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one,2,3-dihydro-7-methyl-2-thioxo-
- 2-mercapto-7-methyl-5-oxo-5H-1,3,4-thiadiazolo[3,2-a]pyrimidine
- 7-methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
- IRUKGGHQKGTAPN-UHFFFAOYSA-N
- 2-mercapto-7-methyl-5-oxo-5h-1,3,4-thiadiazolo[3,2-a]-pyrimidine
- 7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
-
- Inchi： 1S/C6H5N3OS2/c1-3-2-4(10)9-5(7-3)12-6(11)8-9/h2H,1H3,(H,8,11)
- InChI Key： IRUKGGHQKGTAPN-UHFFFAOYSA-N
- SMILES： S1C(NN2C(C=C(C)N=C12)=O)=S
Computed Properties
- Exact Mass: 198.98740414g/mol
- Monoisotopic Mass: 198.98740414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 334
- 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: 1
- Topological Polar Surface Area: 102
7-Methyl-2-sulfanyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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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
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