Cas no 62966-83-0 (1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,3-dimethyl-6-thioxo-)
62966-83-0 structure
Product Name:1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,3-dimethyl-6-thioxo-
CAS No:62966-83-0
MF:C5H7N3O2S
MW:173.192979097366
CID:427944
PubChem ID:13025213
Update Time:2025-04-19
1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,3-dimethyl-6-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,3-dimethyl-6-thioxo-
- 1,3-dimethyl-6-sulfanylidene-1,3,5-triazinane-2,4-dione
- DTXSID50515533
- 62966-83-0
- SCHEMBL23644930
-
- Inchi： 1S/C5H7N3O2S/c1-7-3(9)6-4(11)8(2)5(7)10/h1-2H3,(H,6,9,11)
- InChI Key： QITGHEVDZDELHS-UHFFFAOYSA-N
- SMILES： S=C1NC(N(C)C(N1C)=O)=O
Computed Properties
- Exact Mass: 173.02601
- Monoisotopic Mass: 173.02589765g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 240
- 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: -0.2
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- PSA: 52.65
1,3,5-Triazine-2,4(1H,3H)-dione, dihydro-1,3-dimethyl-6-thioxo- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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