Cas no 106119-76-0 (4-nitroso-6-phenyl-3-sulfanylidene-2h-1,2,4-triazin-5-one)
106119-76-0 structure
Product Name:4-nitroso-6-phenyl-3-sulfanylidene-2h-1,2,4-triazin-5-one
CAS No:106119-76-0
MF:C9H6N4O2S
MW:234.23453950882
CID:1174642
PubChem ID:11345331
Update Time:2025-04-20
4-nitroso-6-phenyl-3-sulfanylidene-2h-1,2,4-triazin-5-one Chemical and Physical Properties
Names and Identifiers
-
- 4-nitroso-6-phenyl-3-sulfanylidene-2h-1,2,4-triazin-5-one
- 4-nitroso-6-phenyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one
- CTK0G3846
- 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-4-nitroso-6-phenyl-3-thioxo-
- 4-nitroso-3-thio-6-phenyl-1,2,4-triazine-5-one
- ACMC-20m9o5
- 3-thio-4-nitroso-6-phenyl-1,2,4-triazin-5-one
- 4-Nitroso-6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
- 4-nitroso-3-thioxo-6-phenyl-1,2,4-triazin-5(2H)-one
- 4-nitroso-6-phenyl-1,2,4-triazine-3(2H)-thion-5(4H)-one
- 4-nitroso-6-phenyl-1,2,4-triazine-3(2H)-thione-5-one
- 4-nitroso-6-phenyl-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one; CTK0G3846; 1,2,4-Triazin-5(2H)-one, 3,4-dihydro-4-nitroso-6-phenyl-3-thioxo-; 4-nitroso-3-thio-6-phenyl-1,2,4-triazine-5-one; ACMC-20m9o5; 3-thio-4-nitroso-6-phenyl-1,2,4-triazin-5-one; 4-Nitroso-6-phenyl-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-5-one; 4-nitroso-3-thioxo-6-phenyl-1,2,4-triazin-5(2H)-one; 4-nitroso-6-phenyl-1,2,4-triazine-3(2H)-thion-5(4H)-one; 4-nitroso-6
- 4-nitroso-3-thio-6-phenyl-1,2,4-triazin-5-one
- DTXSID30463043
- 106119-76-0
-
- Inchi： 1S/C9H6N4O2S/c14-8-7(6-4-2-1-3-5-6)10-11-9(16)13(8)12-15/h1-5H,(H,11,16)
- InChI Key： IYILIMWLFKVXDF-UHFFFAOYSA-N
- SMILES： S=C1NN=C(C(N1N=O)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 234.02128
- Monoisotopic Mass: 234.02114662g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 363
- 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: 1.2
- Topological Polar Surface Area: 106?2
Experimental Properties
- PSA: 74.13
- LogP: 1.12350
4-nitroso-6-phenyl-3-sulfanylidene-2h-1,2,4-triazin-5-one Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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