Cas no 54774-98-0 (5-Methyl-2-(propylthio)pyrimidin-4(1h)-one)
54774-98-0 structure
Product Name:5-Methyl-2-(propylthio)pyrimidin-4(1h)-one
CAS No:54774-98-0
MF:C8H12N2OS
MW:184.258680343628
CID:2187577
PubChem ID:588347
Update Time:2025-04-21
5-Methyl-2-(propylthio)pyrimidin-4(1h)-one Chemical and Physical Properties
Names and Identifiers
-
- 5-Methyl-2-(propylthio)pyrimidin-4(1h)-one
- NHTAMNOBPJXCAB-UHFFFAOYSA-N
- 5-Methyl-2-(propylsulfanyl)-4-pyrimidinol #
- 54774-98-0
- 4(1H)-Pyrimidinone, 5-methyl-2-(propylthio)-
- DB-306769
-
- Inchi： 1S/C8H12N2OS/c1-3-4-12-8-9-5-6(2)7(11)10-8/h5H,3-4H2,1-2H3,(H,9,10,11)
- InChI Key： NHTAMNOBPJXCAB-UHFFFAOYSA-N
- SMILES： S(C1=NC=C(C)C(N1)=O)CCC
Computed Properties
- Exact Mass: 184.06703418Da
- Monoisotopic Mass: 184.06703418Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 245
- 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: 1.5
- Topological Polar Surface Area: 66.8?2
5-Methyl-2-(propylthio)pyrimidin-4(1h)-one Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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