Cas no 23062-34-2 (4H,6H-Dithieno[3,4-c:3',4'-e]oxepin)
![4H,6H-Dithieno[3,4-c:3',4'-e]oxepin structure](https://ossimg.kuujia.com/scimg/23500/23062-34-2x500.png)
23062-34-2 structure
Product Name:4H,6H-Dithieno[3,4-c:3',4'-e]oxepin
CAS No:23062-34-2
MF:C10H8OS2
MW:208.299920082092
CID:286746
PubChem ID:140993
Update Time:2025-04-19
4H,6H-Dithieno[3,4-c:3',4'-e]oxepin Chemical and Physical Properties
Names and Identifiers
-
- 4H,6H-Dithieno[3,4-c:3',4'-e]oxepin
- 4,6-dihydrodithieno[2,3-a:2',3'-d]oxepine
- 4,6-Dihydro-8-methylpyrrolo(4,3,2-de)(1,2,4)triazolo(3,4-a)isoquinoline
- 4,6-Dihydro-8-methylpyrrolo[4,3,2-de]-s-triazolo[3,4-a]isoquinoline
- 4,6-Dihydrodithieno< 3,4-c:3,4-e> oxepin
- 4,6-Dihydro-dithieno< 3,4-c:3,4-e> oxepin
- 4,6-Dihydrodithio< 3,4-c:3,4-e> oxepin
- Dithieno[3,4-c:3',4'-e]-4H,6H-oxepin
- LS-139754
- Pyrrolo(4,3,2-de)(1,2,4)triazolo(3,4-a)isoquinoline, 4,6-dihydro-8-methyl-
- NSC 241159
- NSC-241159
- 4H,6H-Dithieno(3,4-c:3',4'-e)oxepin
- DTXSID80177628
- 23062-34-2
- FT-0712785
- NSC241159
- 5205-06-1
- 8-oxa-4,12-dithiatricyclo[8.3.0.02,6]trideca-1(13),2,5,10-tetraene
-
- Inchi： 1S/C10H8OS2/c1-7-3-12-5-9(7)10-6-13-4-8(10)2-11-1/h3-6H,1-2H2
- InChI Key： LBKKXPSTOSLTSB-UHFFFAOYSA-N
- SMILES： S1C=C2COCC3=CSC=C3C2=C1
Computed Properties
- Exact Mass: 208.00174
- Monoisotopic Mass: 208.002
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 177
- 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: 2.1
- Topological Polar Surface Area: 65.7?2
Experimental Properties
- Density: 1.354
- Boiling Point: 393.2°C at 760 mmHg
- Flash Point: 191.6°C
- Refractive Index: 1.659
- PSA: 9.23
4H,6H-Dithieno[3,4-c:3',4'-e]oxepin Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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