Cas no 43149-46-8 (2(1H)-Pyrimidinethione, 6-(2-hydroxy-1-propen-1-yl)-4-methyl-)
43149-46-8 structure
Product Name:2(1H)-Pyrimidinethione, 6-(2-hydroxy-1-propen-1-yl)-4-methyl-
CAS No:43149-46-8
MF:C8H10N2OS
MW:182.242800235748
CID:334854
PubChem ID:135443569
Update Time:2025-04-19
2(1H)-Pyrimidinethione, 6-(2-hydroxy-1-propen-1-yl)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrimidinethione, 6-(2-hydroxy-1-propen-1-yl)-4-methyl-
- 1-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-ylidene)propan-2-one
- NSC-170726
- NSC170726
- 43149-46-8
-
- Inchi： 1S/C8H10N2OS/c1-5-3-7(4-6(2)11)10-8(12)9-5/h3-4,11H,1-2H3,(H,9,10,12)/b6-4+
- InChI Key： LVUGEGHQSDSIJC-GQCTYLIASA-N
- SMILES： S=C1N=C(/C=C(\C)/O)C=C(C)N1
Computed Properties
- Exact Mass: 182.0515
- Monoisotopic Mass: 182.051384
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 291
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 73.2
- XLogP3: 0.8
Experimental Properties
- Density: 1.24
- Boiling Point: 285.9°Cat760mmHg
- Flash Point: 126.7°C
- Refractive Index: 1.611
- PSA: 41.13
- LogP: 2.36640
2(1H)-Pyrimidinethione, 6-(2-hydroxy-1-propen-1-yl)-4-methyl- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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