Cas no 615-78-1 (1h,3h-pyrimidine-4-one-2-thione, 1-methyl-)
615-78-1 structure
Product Name:1h,3h-pyrimidine-4-one-2-thione, 1-methyl-
CAS No:615-78-1
MF:C5H6N2OS
MW:142.178939342499
CID:864123
PubChem ID:3036305
Update Time:2025-04-19
1h,3h-pyrimidine-4-one-2-thione, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1h,3h-pyrimidine-4-one-2-thione, 1-methyl-
- 1-methyl-2-sulfanylidenepyrimidin-4-one
- 1-Methyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
- 4(1H)-pyrimidinone, 2,3-dihydro-1-methyl-2-thioxo-
-
- MDL： MFCD00955671
- Inchi： 1S/C5H6N2OS/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)
- InChI Key： NHYBHTWIHXJICP-UHFFFAOYSA-N
- SMILES： S=C1NC(C=CN1C)=O
Computed Properties
- Exact Mass: 142.02018
- Monoisotopic Mass: 142.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 187
- 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: -0.6
- Topological Polar Surface Area: 64.4?2
Experimental Properties
- PSA: 32.34
1h,3h-pyrimidine-4-one-2-thione, 1-methyl- Related Literature
-
Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
615-78-1 (1h,3h-pyrimidine-4-one-2-thione, 1-methyl-) Related Products
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