Cas no 61192-84-5 (2,5-Furandione, 3-(dodecylthio)-4-methyl-)
61192-84-5 structure
Product Name:2,5-Furandione, 3-(dodecylthio)-4-methyl-
CAS No:61192-84-5
MF:C17H28O3S
MW:312.4674243927
CID:488983
PubChem ID:71398390
Update Time:2025-04-19
2,5-Furandione, 3-(dodecylthio)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Furandione, 3-(dodecylthio)-4-methyl-
- 3-dodecylsulfanyl-4-methylfuran-2,5-dione
- 61192-84-5
- DTXSID60819817
- 3-(DODECYLSULFANYL)-4-METHYLFURAN-2,5-DIONE
-
- Inchi： 1S/C17H28O3S/c1-3-4-5-6-7-8-9-10-11-12-13-21-15-14(2)16(18)20-17(15)19/h3-13H2,1-2H3
- InChI Key： XJRFMOLGRCHSPM-UHFFFAOYSA-N
- SMILES： S(C1C(=O)OC(C=1C)=O)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 312.17604
- Monoisotopic Mass: 312.17591592g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 374
- 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: 6.6
- Topological Polar Surface Area: 68.7?2
Experimental Properties
- PSA: 43.37
2,5-Furandione, 3-(dodecylthio)-4-methyl- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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