Cas no 1686-98-2 (Nsc314554)
Nsc314554 structure
Product Name:Nsc314554
CAS No:1686-98-2
MF:C18H26O4S4
MW:434.656640529633
CID:905079
PubChem ID:329802
Update Time:2025-04-19
Nsc314554 Chemical and Physical Properties
Names and Identifiers
-
- Nsc314554
- 2,5-Bis-ethylendimercapto-bicyclo<2,2,2>octan-1,4-dicarbonsaeure-diethylester
- 2,5-Bis-ethylendimercapto-bicyclo[2,2,2]octan-1,4-dicarbonsaeure-diethylester
- AC1L75JP
- BTBG00106
- CCG-41694
- CDS1_000201
- DivK1c_001241
- HMS548J03
- Maybridge1_002489
- SR-01000631751-1
- Diethyl 1'H,4'H-dispiro[1,3-dithiolane-2,2'-bicyclo[2.2.2]octane-5',2''-[1,3]dithiolane]-1',4'-dicarboxylate
- 1686-98-2
- NSC-314554
- CID 329802
- DTXSID00317322
-
- Inchi： 1S/C18H26O4S4/c1-3-21-13(19)15-5-6-16(14(20)22-4-2,12-17(15)23-7-8-24-17)18(11-15)25-9-10-26-18/h3-12H2,1-2H3
- InChI Key： YAVIDLZGUYRWJF-UHFFFAOYSA-N
- SMILES： S1CCSC21CC1(C(=O)OCC)CCC2(C(=O)OCC)CC21SCCS2
Computed Properties
- Exact Mass: 434.07158
- Monoisotopic Mass: 434.071
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 6
- Complexity: 548
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 154?2
Experimental Properties
- Density: 1.38
- Boiling Point: 555.3°C at 760 mmHg
- Flash Point: 277.1°C
- Refractive Index: 1.641
- PSA: 52.6
- LogP: 4.02560
Nsc314554 Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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