Cas no 841260-72-8 (4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)-)
841260-72-8 structure
Product Name:4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)-
CAS No:841260-72-8
MF:C9H14ClN3S
MW:231.745559215546
CID:1820694
PubChem ID:11020738
Update Time:2025-04-21
4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)-
- 6-Chloro-N-(2-methylpropyl)-2-(methylthio)-4-pyrimidinamine
- DTXSID201187518
- 841260-72-8
-
- Inchi： 1S/C9H14ClN3S/c1-6(2)5-11-8-4-7(10)12-9(13-8)14-3/h4,6H,5H2,1-3H3,(H,11,12,13)
- InChI Key： FVMGUKLBSHJRPI-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)SC)NCC(C)C
Computed Properties
- Exact Mass: 231.0596963g/mol
- Monoisotopic Mass: 231.0596963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 168
- 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: 3.7
- Topological Polar Surface Area: 63.1?2
4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
841260-72-8 (4-Pyrimidinamine, 6-chloro-N-(2-methylpropyl)-2-(methylthio)-) Related Products
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