Cas no 54774-88-8 (4-Pyrimidinamine, 2-(butylthio)-)
54774-88-8 structure
Product Name:4-Pyrimidinamine, 2-(butylthio)-
CAS No:54774-88-8
MF:C8H13N3S
MW:183.273919820786
CID:2185506
Update Time:2023-08-05
4-Pyrimidinamine, 2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-(Butylthio)-4-pyrimidinamine
- 4-Pyrimidinamine, 2-(butylthio)-
- 2-(butylsulfanyl)pyrimidin-4-amine
- JNXWCTNMZIEMEL-UHFFFAOYSA-N
- 2-(Butylsulfanyl)-4-pyrimidinamine #
-
- Inchi： 1S/C8H13N3S/c1-2-3-6-12-8-10-5-4-7(9)11-8/h4-5H,2-3,6H2,1H3,(H2,9,10,11)
- InChI Key： JNXWCTNMZIEMEL-UHFFFAOYSA-N
- SMILES： S(C1N=CC=C(N)N=1)CCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 121
- Topological Polar Surface Area: 77.1
4-Pyrimidinamine, 2-(butylthio)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
54774-88-8 (4-Pyrimidinamine, 2-(butylthio)-) Related Products
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