Cas no 264-28-8 (2-Benzothiepin)
2-Benzothiepin structure
Product Name:2-Benzothiepin
CAS No:264-28-8
MF:C10H8S
MW:160.235521316528
CID:1430596
PubChem ID:23288949
Update Time:2025-04-20
2-Benzothiepin Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiepin
- 2-benzothiepine
- DTXSID20632589
- SCHEMBL5256075
- 264-28-8
-
- Inchi： 1S/C10H8S/c1-2-5-10-8-11-7-3-6-9(10)4-1/h1-8H
- InChI Key： ZWXFCATYIQTJEX-UHFFFAOYSA-N
- SMILES： S1C=CC=C2C=CC=CC2=C1
Computed Properties
- Exact Mass: 160.03474
- Monoisotopic Mass: 160.03467143g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 301
- 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: 2.6
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
2-Benzothiepin Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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