Cas no 6944-69-0 (1,2,4-Triazine-3,5(2H,4H)-dithione,2-methyl-)
6944-69-0 structure
Product Name:1,2,4-Triazine-3,5(2H,4H)-dithione,2-methyl-
CAS No:6944-69-0
MF:C4H5N3S2
MW:159.232597112656
CID:524078
PubChem ID:3614437
Update Time:2025-04-19
1,2,4-Triazine-3,5(2H,4H)-dithione,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-3,5(2H,4H)-dithione,2-methyl-
- 2-methyl-1,2,4-triazine-3,5-dithione
- 1-Methyl-2,4-dithio-6-aza-uracil
- 1-Methyl-2,4-dithio-6-aza-uracil (3,5-Dithioxo-2-methyl-2,3,4,5-tetrahydro-1,2,4-triazin)
- 2-methyl-1,2,4-triazine-3,5(2H,4H)-dithione
- 2-methyl-2H-[1,2,4]triazine-3,5-dithione
- 2-Methyl-3,5-dithioxo-2,3,4,5-tetrahydro-as-triazin
- AC1MU8KB
- HMS3094K15
- NCI60_004439
- NSC58974
- 6944-69-0
- DTXSID40394293
- NSC-58974
- MLS002693207
- SMR001559168
- CHEMBL1972305
-
- Inchi： 1S/C4H5N3S2/c1-7-4(9)6-3(8)2-5-7/h2H,1H3,(H,6,8,9)
- InChI Key： COGSYAPWYVZPQH-UHFFFAOYSA-N
- SMILES： S=C1NC(C=NN1C)=S
Computed Properties
- Exact Mass: 158.99265
- Monoisotopic Mass: 158.992489
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 186
- 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
- Topological Polar Surface Area: 91.8
- XLogP3: 0.5
Experimental Properties
- Density: 1.51
- Boiling Point: 209.6°Cat760mmHg
- Flash Point: 80.6°C
- Refractive Index: 1.755
- PSA: 27.63
- LogP: 1.20720
1,2,4-Triazine-3,5(2H,4H)-dithione,2-methyl- Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
-
Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
-
Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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