Cas no 496863-58-2 (Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl-)
![Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl- structure](https://ossimg.kuujia.com/scimg/497000/496863-58-2x500.png)
496863-58-2 structure
Product Name:Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl-
CAS No:496863-58-2
MF:C13H12N2OS
MW:244.312181472778
CID:1527259
Update Time:2024-08-24
Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl- Chemical and Physical Properties
Names and Identifiers
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- Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl-
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- Inchi： 1S/C13H12N2OS/c1-17-13-14-8-7-11(15-13)12(16)9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
- InChI Key： QUASAOUTJOUAOG-UHFFFAOYSA-N
- SMILES： C(=O)(C1C=CN=C(SC)N=1)CC1=CC=CC=C1
Computed Properties
- Exact Mass: 244.06716
Experimental Properties
- Density: 1.24±0.1 g/cm3(Predicted)
- Boiling Point: 416.3±20.0 °C(Predicted)
- PSA: 42.85
- pka: -1.56±0.20(Predicted)
Ethanone, 1-[2-(methylthio)-4-pyrimidinyl]-2-phenyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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