Cas no 1246034-34-3 (4-Chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine)
1246034-34-3 structure
Product Name:4-Chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine
CAS No:1246034-34-3
MF:C12H11ClN2S
MW:250.747140169144
CID:2190551
Update Time:2023-08-07
4-Chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 4-Benzyl-6-chloro-2-(methylthio)pyrimidine
- 4-chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine
- RXEPGHYKTVOIGQ-UHFFFAOYSA-N
- 4-Chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine
-
- Inchi： 1S/C12H11ClN2S/c1-16-12-14-10(8-11(13)15-12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
- InChI Key： RXEPGHYKTVOIGQ-UHFFFAOYSA-N
- SMILES： ClC1=CC(CC2C=CC=CC=2)=NC(=N1)SC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 209
- Topological Polar Surface Area: 51.1
4-Chloro-2-(methylthio)-6-(phenylmethyl)pyrimidine Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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