Cas no 1351990-36-7 (4-Chloro-2-propylsulfanyl-pyrimidine)
1351990-36-7 structure
Product Name:4-Chloro-2-propylsulfanyl-pyrimidine
CAS No:1351990-36-7
MF:C7H9ClN2S
MW:188.677758932114
CID:4586667
Update Time:2023-08-10
4-Chloro-2-propylsulfanyl-pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-2-(propylthio)pyrimidine
- Pyrimidine,4-chloro-2-(propylthio)-
- 4-chloro-2-propylsulfanylpyrimidine
- 4-Chloro-2-propylsulfanyl-pyrimidine
-
- Inchi： 1S/C7H9ClN2S/c1-2-5-11-7-9-4-3-6(8)10-7/h3-4H,2,5H2,1H3
- InChI Key： BTQOSJLBXDDOTB-UHFFFAOYSA-N
- SMILES： ClC1=CC=NC(=N1)SCCC
Computed Properties
- Exact Mass: 188.017497g/mol
- Monoisotopic Mass: 188.017497g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 113
- 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: 2.9
- Topological Polar Surface Area: 51.1
- Molecular Weight: 188.68g/mol
4-Chloro-2-propylsulfanyl-pyrimidine Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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