- Part I: Smiles rearrangement in the formation of dimethylthianthrenes. Part II: Approaches to the synthesis of selagineZimmerman, Mary Prislopski, 1977, , ,
Cas no 55214-93-2 (2,8-Dimethylthianthrene)
2,8-Dimethylthianthrene structure
Product Name:2,8-Dimethylthianthrene
CAS No:55214-93-2
MF:C14H12S2
MW:244.375081062317
CID:2831610
PubChem ID:67272
Update Time:2025-04-21
2,8-Dimethylthianthrene Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL163686
- 55214-93-2
- DTXCID70227101
- NS00001641
- DTXSID20275697
- Q15409393
- 2,8-Dimethylthianthrene
-
- Inchi： 1S/C14H12S2/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8H,1-2H3
- InChI Key： XTLNLAUJNYMFIN-UHFFFAOYSA-N
- SMILES： S1C2C=C(C)C=CC=2SC2C=CC(C)=CC1=2
Computed Properties
- Exact Mass: 244.03804273Da
- Monoisotopic Mass: 244.03804273Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 229
- 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: 4.9
- Topological Polar Surface Area: 50.6?2
2,8-Dimethylthianthrene Production Method
Production Method 1
Reaction Conditions
1.1 3 d, 380 °C
1.2 Solvents: Diethyl ether ; overnight, rt
1.3 Solvents: Water
1.2 Solvents: Diethyl ether ; overnight, rt
1.3 Solvents: Water
Reference
2,8-Dimethylthianthrene Raw materials
2,8-Dimethylthianthrene Preparation Products
2,8-Dimethylthianthrene Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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