Cas no 1263314-13-1 (4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine)
1263314-13-1 structure
Product Name:4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine
CAS No:1263314-13-1
MF:C7H8Cl2N2S
MW:223.122817993164
CID:1219988
PubChem ID:58269863
Update Time:2025-04-20
4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine
- DB-357698
- SCHEMBL12661853
- 4,6-dichloro-5-ethyl-2-(methylthio)pyrimidine
- 1263314-13-1
-
- Inchi： 1S/C7H8Cl2N2S/c1-3-4-5(8)10-7(12-2)11-6(4)9/h3H2,1-2H3
- InChI Key： OTJNGWSCGTTXQV-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)SC)Cl)CC
Computed Properties
- Exact Mass: 221.9785248g/mol
- Monoisotopic Mass: 221.9785248g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 135
- 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: 3.8
- Topological Polar Surface Area: 51.1?2
4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
1263314-13-1 (4,6-dichloro-5-ethyl-2-(methylsulfanyl)pyrimidine) Related Products
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