Cas no 439598-19-3 (1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)-)
439598-19-3 structure
Product Name:1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)-
CAS No:439598-19-3
MF:C12H16O4S
MW:256.318042755127
CID:2827715
PubChem ID:11299836
Update Time:2025-04-21
1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 439598-19-3
- 1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)-
- SCHEMBL2084153
- DTXSID30461680
-
- Inchi： 1S/C12H16O4S/c1-13-9-6-8(12-16-4-5-17-12)7-10(14-2)11(9)15-3/h6-7,12H,4-5H2,1-3H3
- InChI Key： NDWKSWPMFTZWSX-UHFFFAOYSA-N
- SMILES： S1CCOC1C1C=C(C(=C(C=1)OC)OC)OC
Computed Properties
- Exact Mass: 256.07693016Da
- Monoisotopic Mass: 256.07693016Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 62.2?2
1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
439598-19-3 (1,3-Oxathiolane, 2-(3,4,5-trimethoxyphenyl)-) Related Products
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