Cas no 110099-97-3 (Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl-)
![Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl- structure](https://ossimg.kuujia.com/scimg/110500/110099-97-3x500.png)
110099-97-3 structure
Product Name:Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl-
CAS No:110099-97-3
MF:C12H10N2OS
MW:230.285601139069
CID:1191021
Update Time:2024-08-05
Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl- Chemical and Physical Properties
Names and Identifiers
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- Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl-
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- Inchi： 1S/C12H10N2OS/c1-16-12-13-7-10(8-14-12)11(15)9-5-3-2-4-6-9/h2-8H,1H3
- InChI Key： NEEFPKHRVQAMPK-UHFFFAOYSA-N
- SMILES： C(C1=CN=C(SC)N=C1)(C1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 230.0515
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Melting Point: 100 °C(Solv: methanol (67-56-1))
- Boiling Point: 394.3±15.0 °C(Predicted)
- PSA: 42.85
- pka: -0.80±0.22(Predicted)
Methanone, [2-(methylthio)-5-pyrimidinyl]phenyl- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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