Cas no 13480-96-1 (Pyrimidine,4-chloro-2-(ethylthio)-5-methyl-)
13480-96-1 structure
Product Name:Pyrimidine,4-chloro-2-(ethylthio)-5-methyl-
CAS No:13480-96-1
MF:C7H9ClN2S
MW:188.677758932114
CID:226182
PubChem ID:300167
Update Time:2025-04-19
Pyrimidine,4-chloro-2-(ethylthio)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,4-chloro-2-(ethylthio)-5-methyl-
- 4-chloro-2-ethylsulfanyl-5-methylpyrimidine
- 4-chloro-2-ethylsulfanyl-5-methyl-pyrimidine
- 2-(Ethylthio)-4-chloro-5-methylpyrimidine
- 2-Aethylmercapto-4-chlor-5-methyl-pyrimidin
- 4-Chlor-2-aethylmercapto-5-methyl-pyrimidin
- AC1L6VPO
- AG-D-71194
- CTK4B9441
- NSC174485
- 4-chloro-2-(ethylthio)-5-methylPyrimidine
- SCHEMBL7020201
- 13480-96-1
- 4-Chloro-2-(ethylsulfanyl)-5-methylpyrimidine
- DTXSID40306154
- FT-0751287
- NSC 174485
- NSC-174485
-
- Inchi： 1S/C7H9ClN2S/c1-3-11-7-9-4-5(2)6(8)10-7/h4H,3H2,1-2H3
- InChI Key： PHKSIZQWMQKMPG-UHFFFAOYSA-N
- SMILES： ClC1=C(C)C=NC(=N1)SCC
Computed Properties
- Exact Mass: 188.01767
- Monoisotopic Mass: 188.0174972g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 123
- 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: 2.7
- Topological Polar Surface Area: 51.1?2
Experimental Properties
- PSA: 25.78
- LogP: 2.55040
Pyrimidine,4-chloro-2-(ethylthio)-5-methyl- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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