Cas no 88037-20-1 (4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)-)
88037-20-1 structure
Product Name:4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)-
CAS No:88037-20-1
MF:C8H8N2OS
MW:180.226920127869
CID:647797
PubChem ID:135422771
Update Time:2025-04-19
4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)-
- 6-methyl-2-prop-2-ynylsulfanyl-1H-pyrimidin-4-one
- 6-Methyl-2-(prop-2-yn-1-ylthio)pyrimidin-4(1H)-one
- 2-propargylthio-4-methyl-1h-pyrimidin-6-one
- AKOS008968391
- AKOS002176485
- 6-methyl-2-prop-2-ynylthio-3-hydropyrimidin-4-one
- DTXSID20369525
- CCG-46451
- SR-01000636149-1
- 88037-20-1
-
- Inchi： 1S/C8H8N2OS/c1-3-4-12-8-9-6(2)5-7(11)10-8/h1,5H,4H2,2H3,(H,9,10,11)
- InChI Key： UERWZDHZLXJZAT-UHFFFAOYSA-N
- SMILES： S(CC#C)C1=NC(C)=CC(N1)=O
Computed Properties
- Exact Mass: 180.03573406g/mol
- Monoisotopic Mass: 180.03573406g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 0.7
- Topological Polar Surface Area: 66.8?2
4(1H)-Pyrimidinone, 6-methyl-2-(2-propynylthio)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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