Cas no 452-88-0 (6-methyl-1,2,4-triazine-3,5(2H,4H)-dithione)
452-88-0 structure
Product Name:6-methyl-1,2,4-triazine-3,5(2H,4H)-dithione
CAS No:452-88-0
MF:C4H5N3S2
MW:159.232597112656
CID:929872
PubChem ID:1241506
Update Time:2025-04-19
6-methyl-1,2,4-triazine-3,5(2H,4H)-dithione Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-1,2,4-triazine-3,5(2H,4H)-dithione
- 6-methyl-2H-1,2,4-triazine-3,5-dithione
- 2,4-Dithio-6-azathymin
- 3,5-Dimercapto-6-methyl-1,2,4-triazin
- 3,5-Dithioxo-6-methyl-2,3,4,5-tetrahydro-as-triazin
- 5-Methyl-2,4-dithio-6-aza-uracil (3,5-Dithioxo-6-methyl-2,3,4,5-tetrahydro-1,2,4-triazin)
- 6-methyl-1,2,4-triazine-3,5-dithiol
- 6-Methyl-2H-[1,2,4]triazin-3,5-dithion
- 6-methyl-2H-[1,2,4]triazine-3,5-dithione
- 6-Methyl-3,5-dithioxo-1,2,4-triazin
- AC1LOJRU
- CCG-46385
- F3097-0465
- F3099-3400
- NSC154759
- SBB079027
- 1,2,4-Triazine-3,5(2H,4H)-dithione, 6-methyl-
- 3,5-Dithiono-6-methyl-1,2,4-triazine
- NSC-154759
- MFCD05023071
- CHEMBL3272977
- AKOS002260753
- 452-88-0
- SR-01000636086-1
- DTXSID90361319
- AKOS002351603
- 6-Methyl-3,5-dithioxo-2,3,4,5-tetrahydro-1,2,4-dro-triazine
- SMAXQSJQYFKAJD-UHFFFAOYSA-N
- 6-Methyl-1,2,4-triazine-3,5(2H,4H)-dithione #
-
- Inchi： 1S/C4H5N3S2/c1-2-3(8)5-4(9)7-6-2/h1H3,(H2,5,7,8,9)
- InChI Key： SMAXQSJQYFKAJD-UHFFFAOYSA-N
- SMILES： S=C1C(C)=NNC(N1)=S
Computed Properties
- Exact Mass: 158.99265
- Monoisotopic Mass: 158.99248952g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 196
- 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: 0.3
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 36.42
6-methyl-1,2,4-triazine-3,5(2H,4H)-dithione Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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