Cas no 62459-18-1 (4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]-)
![4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]- structure](https://ossimg.kuujia.com/scimg/62500/62459-18-1x500.png)
62459-18-1 structure
Product Name:4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]-
CAS No:62459-18-1
MF:C9H15N3OS
MW:213.29990029335
CID:444004
PubChem ID:136149753
Update Time:2025-04-19
4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]-
- 6-amino-2-(3-methylbutylsulfanyl)-1H-pyrimidin-4-one
- AKOS008982922
- 6-Amino-2-[(3-methylbutyl)sulfanyl]pyrimidin-4(1H)-one
- 62459-18-1
- DTXSID30652899
- 6-Amino-2-(isopentylthio)pyrimidin-4(1H)-one
-
- Inchi： 1S/C9H15N3OS/c1-6(2)3-4-14-9-11-7(10)5-8(13)12-9/h5-6H,3-4H2,1-2H3,(H3,10,11,12,13)
- InChI Key： TZUVOKIRBOTAMD-UHFFFAOYSA-N
- SMILES： S(C1=NC(=CC(N1)=O)N)CCC(C)C
Computed Properties
- Exact Mass: 213.09375
- Monoisotopic Mass: 213.09358328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 284
- 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: 1.4
- Topological Polar Surface Area: 92.8?2
Experimental Properties
- PSA: 67.48
4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
62459-18-1 (4(1H)-Pyrimidinone, 6-amino-2-[(3-methylbutyl)thio]-) Related Products
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