Cas no 830330-26-2 (4(1H)-Pyrimidinone, 6-amino-5-(methyleneamino)-2-(methylthio)-)
830330-26-2 structure
Product Name:4(1H)-Pyrimidinone, 6-amino-5-(methyleneamino)-2-(methylthio)-
CAS No:830330-26-2
MF:C6H8N4OS
MW:184.218918800354
CID:679231
PubChem ID:136235091
Update Time:2025-04-19
4(1H)-Pyrimidinone, 6-amino-5-(methyleneamino)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 6-amino-5-(methyleneamino)-2-(methylthio)-
- 6-amino-5-(methylideneamino)-2-methylsulfanyl-1H-pyrimidin-4-one
- 6-Amino-5-(methylideneamino)-2-(methylsulfanyl)pyrimidin-4(1H)-one
- 830330-26-2
- DTXSID80835897
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- Inchi： 1S/C6H8N4OS/c1-8-3-4(7)9-6(12-2)10-5(3)11/h1H2,2H3,(H3,7,9,10,11)
- InChI Key： WEPWZYBZDMSHJY-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(=C(C(N1)=O)N=C)N
Computed Properties
- Exact Mass: 184.04188206g/mol
- Monoisotopic Mass: 184.04188206g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 294
- 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: 1.1
- Topological Polar Surface Area: 105?2
4(1H)-Pyrimidinone, 6-amino-5-(methyleneamino)-2-(methylthio)- Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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