Cas no 755756-85-5 (3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-)
![3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/756000/755756-85-5x500.png)
755756-85-5 structure
Product Name:3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-
CAS No:755756-85-5
MF:C18H10ClF3N4S
MW:406.812011241913
CID:1777997
Update Time:2024-11-27
3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-
- 3-Pyridinecarbonitrile, 2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-
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- Inchi： 1S/C18H10ClF3N4S/c1-27-17-24-6-5-14(25-17)13-8-11(9-23)16(19)26-15(13)10-3-2-4-12(7-10)18(20,21)22/h2-8H,1H3
- InChI Key： MFXWHGRMOLTQSV-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC(C2=CC=CC(C(F)(F)F)=C2)=C(C2C=CN=C(SC)N=2)C=C1C#N
Computed Properties
- Exact Mass: 406.0269
Experimental Properties
- Density: 1.50±0.1 g/cm3(Predicted)
- Boiling Point: 509.3±50.0 °C(Predicted)
- PSA: 62.46
- pka: -2.38±0.31(Predicted)
3-Pyridinecarbonitrile,2-chloro-5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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