Cas no 544675-64-1 (Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI))
544675-64-1 structure
Product Name:Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI)
CAS No:544675-64-1
MF:C7H6N2S
MW:150.200939655304
CID:1057597
PubChem ID:17965477
Update Time:2025-04-20
Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI)
- 4-ethynyl-2-(methylthio)pyrimidine
- 544675-64-1
- 4-Ethynyl-2-(methylsulfanyl)pyrimidine
- SCHEMBL3805723
- 4-ethynyl-2-methylsulfanylpyrimidine
- AKOS040821993
- DA-39413
- ZQPNFOFVPZSCAR-UHFFFAOYSA-N
-
- Inchi： 1S/C7H6N2S/c1-3-6-4-5-8-7(9-6)10-2/h1,4-5H,2H3
- InChI Key： ZQPNFOFVPZSCAR-UHFFFAOYSA-N
- SMILES： S(C)C1N=CC=C(C#C)N=1
Computed Properties
- Exact Mass: 150.025
- Monoisotopic Mass: 150.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 149
- 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
- Topological Polar Surface Area: 51.1A^2
- XLogP3: 1.3
Pyrimidine, 4-ethynyl-2-(methylthio)- (9CI) Related Literature
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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