Cas no 35071-18-2 (2(1H)-Pyrimidinethione,6-ethyl-)
35071-18-2 structure
Product Name:2(1H)-Pyrimidinethione,6-ethyl-
CAS No:35071-18-2
MF:C6H8N2S
MW:140.206119537354
CID:295311
Update Time:2024-01-27
2(1H)-Pyrimidinethione,6-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinethione,6-ethyl-
- 2(1H)-Pyrimidinethione,4-ethyl- (9CI)
- 2(1H)-Pyrimidinethione, 4-ethyl- (9CI)
- 2(1H)-Pyrimidinethione, 6-ethyl-
-
- Inchi： 1S/C6H8N2S/c1-2-5-3-4-7-6(9)8-5/h3-4H,2H2,1H3,(H,7,8,9)
- InChI Key： CITFETCXGZIXCA-UHFFFAOYSA-N
- SMILES： C1(=S)NC(CC)=CC=N1
Computed Properties
- Exact Mass: 140.04094
- Monoisotopic Mass: 140.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 182
- 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: 56.5A^2
Experimental Properties
- PSA: 24.39
2(1H)-Pyrimidinethione,6-ethyl- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
35071-18-2 (2(1H)-Pyrimidinethione,6-ethyl-) Related Products
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