Cas no 99469-86-0 (Pyrimidine, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]-)
99469-86-0 structure
Product Name:Pyrimidine, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]-
CAS No:99469-86-0
MF:C17H13ClN2S
MW:312.816521406174
CID:1992465
PubChem ID:16642955
Update Time:2025-04-21
Pyrimidine, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]-
- 99469-86-0
- 4-Chloro-6-phenyl-2-[(phenylmethyl)thio]pyrimidine
- DTXSID401228277
- AKOS002363497
-
- Inchi: 1S/C17H13ClN2S/c18-16-11-15(14-9-5-2-6-10-14)19-17(20-16)21-12-13-7-3-1-4-8-13/h1-11H,12H2
- InChI Key: XXSXGNNABQFKIZ-UHFFFAOYSA-N
- SMILES: ClC1=CC(C2C=CC=CC=2)=NC(=N1)SCC1C=CC=CC=1
Computed Properties
- Exact Mass: 312.0487973Da
- Monoisotopic Mass: 312.0487973Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 51.1?2
Pyrimidine, 4-chloro-6-phenyl-2-[(phenylmethyl)thio]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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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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