Cas no 1745-49-9 (11-chloro-6,11-dihydrodibenzo[b,e]thiepine)
![11-chloro-6,11-dihydrodibenzo[b,e]thiepine structure](https://ossimg.kuujia.com/scimg/2000/1745-49-9x500.png)
1745-49-9 structure
Product Name:11-chloro-6,11-dihydrodibenzo[b,e]thiepine
CAS No:1745-49-9
MF:C14H11ClS
MW:246.755141496658
CID:5061675
PubChem ID:12514557
Update Time:2024-03-01
11-chloro-6,11-dihydrodibenzo[b,e]thiepine Chemical and Physical Properties
Names and Identifiers
-
- 11-chloro-6,11-dihydrodibenzo[b,e]thiepine
-
- Inchi： 1S/C14H11ClS/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8,14H,9H2
- InChI Key： LYGVSZXMMRLJPF-UHFFFAOYSA-N
- SMILES： S1CC2=CC=CC=C2C(Cl)C2=CC=CC=C12
Computed Properties
- Exact Mass: 246.0269992g/mol
- Monoisotopic Mass: 246.0269992g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 243
- 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: 4.1
- Topological Polar Surface Area: 25.3?2
11-chloro-6,11-dihydrodibenzo[b,e]thiepine Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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