Cas no 61044-97-1 (Pyrimidine, 4-chloro-2-(methylthio)-5-phenyl-)
61044-97-1 structure
Product Name:Pyrimidine, 4-chloro-2-(methylthio)-5-phenyl-
CAS No:61044-97-1
MF:C11H9ClN2S
MW:236.720559835434
CID:4064929
PubChem ID:11020900
Update Time:2025-04-22
Pyrimidine, 4-chloro-2-(methylthio)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-chloro-2-(methylthio)-5-phenyl-
- 61044-97-1
- 4-chloro-2-methylthio-5-phenylpyrimidine
- 2-methylsulphenyl-4-chloro-5-phenyl-pyrimidine
- DTXSID901268571
- SCHEMBL5413737
- 4-chloro-2-(methylthio)-5-phenylpyrimidine
- GNJCIRMYWZTLFI-UHFFFAOYSA-N
-
- Inchi： 1S/C11H9ClN2S/c1-15-11-13-7-9(10(12)14-11)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key： GNJCIRMYWZTLFI-UHFFFAOYSA-N
- SMILES： C1(SC)=NC=C(C2=CC=CC=C2)C(Cl)=N1
Computed Properties
- Exact Mass: 236.0174972Da
- Monoisotopic Mass: 236.0174972Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 3.6
- Topological Polar Surface Area: 51.1?2
Pyrimidine, 4-chloro-2-(methylthio)-5-phenyl- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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