Cas no 58326-42-4 (2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one)
![2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one structure](https://ossimg.kuujia.com/scimg/58500/58326-42-4x500.png)
58326-42-4 structure
Product Name:2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
CAS No:58326-42-4
MF:C7H8N4OS2
MW:228.294617652893
CID:948362
PubChem ID:321584
Update Time:2025-04-19
2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
- 2-ethyl-7-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
- 2-Ethyl-7-methylthio-1,3,4-thiadiazolo[3,2-a](1,3,5)triazine-5-one
- 2-Methylthio-7-ethyl-1,3,4-thiadiazolo-s-triazin-4-on
- 8-ethyl-4-methylsulfanyl-7-thia-1,3,5,9-tetrazabicyclo[4.3.0]nona-3,5,8-trien-2-one
- AC1L84KK
- CTK1H1249
- NSC273788
- 2-Ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one #
- 2-Ethyl-7-(methylthio)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one
- 58326-42-4
- DTXSID10313633
- ZAPMMTSMAZQZGF-UHFFFAOYSA-N
- NSC-273788
-
- Inchi： 1S/C7H8N4OS2/c1-3-4-10-11-6(12)8-5(13-2)9-7(11)14-4/h3H2,1-2H3
- InChI Key： ZAPMMTSMAZQZGF-UHFFFAOYSA-N
- SMILES： S1C2=NC(=NC(N2N=C1CC)=O)SC
Computed Properties
- Exact Mass: 228.01414
- Monoisotopic Mass: 228.01395324g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 374
- 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: 1.7
- Topological Polar Surface Area: 108?2
Experimental Properties
- PSA: 57.39
2-ethyl-7-(methylsulfanyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazin-5-one Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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