Cas no 36239-33-5 (1,2,4,5-Tetrazinane-3,6-dithione)
36239-33-5 structure
Product Name:1,2,4,5-Tetrazinane-3,6-dithione
CAS No:36239-33-5
MF:C2H4N4S2
MW:148.209956169128
CID:1077152
PubChem ID:2795393
Update Time:2025-04-20
1,2,4,5-Tetrazinane-3,6-dithione Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Tetrazinane-3,6-dithione
- NCI60_026367
- 36239-33-5
- NSC674349
- CHEMBL1979729
- [1,2,4,5]tetrazinane-3,6-dithione
- Hexahydro-1,2,4,5-tetrazine-3,6-dithione
- NSC-674349
- SCHEMBL12954680
- DTXSID70383650
- Dithio-p-urazine
- 1,2,4,5-Tetraazinane-3,6-dithione #
- 1,2,4,5-Tetraazinane-3,6-dithione
- HHSAQSIIYVKIOL-UHFFFAOYSA-N
-
- MDL： MFCD00175998
- Inchi： 1S/C2H4N4S2/c7-1-3-5-2(8)6-4-1/h(H2,3,4,7)(H2,5,6,8)
- InChI Key： HHSAQSIIYVKIOL-UHFFFAOYSA-N
- SMILES： S=C1NNC(NN1)=S
Computed Properties
- Exact Mass: 147.98792
- Monoisotopic Mass: 147.98773849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 104
- 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: -0.1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 48.12
1,2,4,5-Tetrazinane-3,6-dithione Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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