Cas no 62242-34-6 (2(1H)-Pyrimidinone, 1,1'-(1,3-propanediyl)bis[3,4-dihydro-4-thioxo-)
62242-34-6 structure
Product Name:2(1H)-Pyrimidinone, 1,1'-(1,3-propanediyl)bis[3,4-dihydro-4-thioxo-
CAS No:62242-34-6
MF:C11H12N4O2S2
MW:296.368578910828
CID:452845
PubChem ID:15766336
Update Time:2025-04-19
2(1H)-Pyrimidinone, 1,1'-(1,3-propanediyl)bis[3,4-dihydro-4-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1-[3-(2-oxo-4-sulfanylidenepyrimidin-1-yl)propyl]-4-sulfanylidenepyrimidin-2-one
- 1,1'-(Propane-1,3-diyl)bis(4-sulfanylidene-3,4-dihydropyrimidin-2(1H)-one)
- 62242-34-6
- DTXSID40578117
- 2(1H)-Pyrimidinone, 1,1'-(1,3-propanediyl)bis[3,4-dihydro-4-thioxo-
-
- Inchi： 1S/C11H12N4O2S2/c16-10-12-8(18)2-6-14(10)4-1-5-15-7-3-9(19)13-11(15)17/h2-3,6-7H,1,4-5H2,(H,12,16,18)(H,13,17,19)
- InChI Key： VDUQIGRQHJKPCE-UHFFFAOYSA-N
- SMILES： S=C1C=CN(C(N1)=O)CCCN1C=CC(NC1=O)=S
Computed Properties
- Exact Mass: 296.04036
- Monoisotopic Mass: 296.04016799g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 457
- 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: -0.3
- Topological Polar Surface Area: 129?2
Experimental Properties
- PSA: 64.68
2(1H)-Pyrimidinone, 1,1'-(1,3-propanediyl)bis[3,4-dihydro-4-thioxo- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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