Cas no 33227-68-8 (1,3,5,6-tetramethylpyrimidine-2,4-dithione)
33227-68-8 structure
Product Name:1,3,5,6-tetramethylpyrimidine-2,4-dithione
CAS No:33227-68-8
MF:C8H12N2S2
MW:200.324278831482
CID:917740
PubChem ID:337184
Update Time:2025-04-19
1,3,5,6-tetramethylpyrimidine-2,4-dithione Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5,6-tetramethylpyrimidine-2,4-dithione
- NSC354281
- 33227-68-8
- DTXSID70320045
- NSC-354281
-
- Inchi： 1S/C8H12N2S2/c1-5-6(2)9(3)8(12)10(4)7(5)11/h1-4H3
- InChI Key： IVFNWMWNCLILPI-UHFFFAOYSA-N
- SMILES： S=C1N(C)C(C(C)=C(C)N1C)=S
Computed Properties
- Exact Mass: 200.04436
- Monoisotopic Mass: 200.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 281
- 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: 1.3
- Topological Polar Surface Area: 70.7?2
Experimental Properties
- Density: 1.25
- Boiling Point: 259.1°C at 760 mmHg
- Flash Point: 110.5°C
- Refractive Index: 1.656
- PSA: 6.48
- LogP: 2.43940
1,3,5,6-tetramethylpyrimidine-2,4-dithione Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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