Cas no 57009-70-8 (1,3-Dithiane, 2-(3,4,5-trimethoxyphenyl)-)
57009-70-8 structure
Product Name:1,3-Dithiane, 2-(3,4,5-trimethoxyphenyl)-
CAS No:57009-70-8
MF:C13H18O3S2
MW:286.410221576691
CID:346940
PubChem ID:13461178
Update Time:2025-04-19
1,3-Dithiane, 2-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dithiane, 2-(3,4,5-trimethoxyphenyl)-
- 2-(3,4,5-trimethoxyphenyl)-1,3-dithiane
- SCHEMBL9262929
- 57009-70-8
- DTXSID80541401
-
- Inchi： 1S/C13H18O3S2/c1-14-10-7-9(13-17-5-4-6-18-13)8-11(15-2)12(10)16-3/h7-8,13H,4-6H2,1-3H3
- InChI Key： QOWQNDBUFBXLMY-UHFFFAOYSA-N
- SMILES： S1CCCSC1C1C=C(C(=C(C=1)OC)OC)OC
Computed Properties
- Exact Mass: 286.06984
- Monoisotopic Mass: 286.06973678g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 3.2
- Topological Polar Surface Area: 78.3?2
Experimental Properties
- PSA: 27.69
1,3-Dithiane, 2-(3,4,5-trimethoxyphenyl)- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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