Cas no 74440-20-3 (1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl-)
74440-20-3 structure
Product Name:1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl-
CAS No:74440-20-3
MF:C13H12O2S2
MW:264.363181114197
CID:566040
PubChem ID:173283
Update Time:2025-04-19
1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl-
- 2-(1,3-dithiolan-2-ylidene)-1-phenyl-1,3-butanedione
- 2-(1,3-dithiolan-2-ylidene)-1-phenylbutane-1,3-dione
- SCHEMBL10615478
- 2-(1,3-dithian-2-ylidene)-1-phenylbutane-1,3-dione
- KZ-1026
- 1,3-Butanedione, 2-(1,3-dithiolan-2-ylidene)-1-phenyl-
- DTXSID20225450
- AKOS016034314
- 74440-20-3
- KZ 1026
-
- Inchi： 1S/C13H12O2S2/c1-9(14)11(13-16-7-8-17-13)12(15)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
- InChI Key： JZPYFWUDLGQTDS-UHFFFAOYSA-N
- SMILES： S1/C(=C(/C(C)=O)\C(C2C=CC=CC=2)=O)/SCC1
Computed Properties
- Exact Mass: 264.02787197g/mol
- Monoisotopic Mass: 264.02787197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 346
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.7
- Topological Polar Surface Area: 84.7?2
Experimental Properties
- Density: 1.304
- Boiling Point: 417.1°C at 760 mmHg
- Flash Point: 183.6°C
- Refractive Index: 1.643
1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl- Related Literature
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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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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
74440-20-3 (1,3-Butanedione,2-(1,3-dithiolan-2-ylidene)-1-phenyl-) Related Products
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