Cas no 54815-69-9 (Thianthrene, 2,7-dimethoxy-)
Thianthrene, 2,7-dimethoxy- structure
Product Name:Thianthrene, 2,7-dimethoxy-
CAS No:54815-69-9
MF:C14H12O2S2
MW:276.373881340027
CID:353595
PubChem ID:12753285
Update Time:2025-04-19
Thianthrene, 2,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Thianthrene, 2,7-dimethoxy-
- 2,7-dimethoxythianthrene
- Oprea1_453936
- 54815-69-9
- SCHEMBL9511259
- DTXSID50508960
-
- Inchi： 1S/C14H12O2S2/c1-15-9-3-5-11-13(7-9)17-12-6-4-10(16-2)8-14(12)18-11/h3-8H,1-2H3
- InChI Key： RKJAHJGXEAEWIH-UHFFFAOYSA-N
- SMILES： S1C2C=CC(=CC=2SC2C=CC(=CC1=2)OC)OC
Computed Properties
- Exact Mass: 276.02796
- Monoisotopic Mass: 276.02787197g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 4.1
- Topological Polar Surface Area: 69.1?2
Experimental Properties
- PSA: 18.46
Thianthrene, 2,7-dimethoxy- Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Jason Wan Lab Chip, 2020,20, 4528-4538
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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