Cas no 99469-87-1 (Pyrimidine, 4-chloro-2-(ethylthio)-6-phenyl-)
99469-87-1 structure
Product Name:Pyrimidine, 4-chloro-2-(ethylthio)-6-phenyl-
CAS No:99469-87-1
MF:C12H11ClN2S
MW:250.747140169144
CID:1992466
PubChem ID:16642953
Update Time:2025-04-21
Pyrimidine, 4-chloro-2-(ethylthio)-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-2-(ethylthio)-6-phenyl-
- MFCD08758452
- AKOS002363294
- LBTUOHROLYROIM-UHFFFAOYSA-N
- 99469-87-1
- SCHEMBL3451654
- 4-chloro-2-ethylsulfanyl-6-phenylpyrimidine
- 4-chloro-2-(ethylsulfanyl)-6-phenylpyrimidine
- 4-chloro-2-ethylsulfanyl-6-phenyl-pyrimidine
-
- Inchi： 1S/C12H11ClN2S/c1-2-16-12-14-10(8-11(13)15-12)9-6-4-3-5-7-9/h3-8H,2H2,1H3
- InChI Key： LBTUOHROLYROIM-UHFFFAOYSA-N
- SMILES： ClC1=CC(C2C=CC=CC=2)=NC(=N1)SCC
Computed Properties
- Exact Mass: 250.0331472Da
- Monoisotopic Mass: 250.0331472Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 209
- 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: 4
- Topological Polar Surface Area: 51.1?2
Pyrimidine, 4-chloro-2-(ethylthio)-6-phenyl- Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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