Cas no 36568-23-7 (2,4-Benzodithiepin,1,5-dihydro-7,8-dimethyl-)
36568-23-7 structure
Product Name:2,4-Benzodithiepin,1,5-dihydro-7,8-dimethyl-
CAS No:36568-23-7
MF:C11H14S2
MW:210.358860492706
CID:313907
PubChem ID:119016
Update Time:2025-04-19
2,4-Benzodithiepin,1,5-dihydro-7,8-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Benzodithiepin,1,5-dihydro-7,8-dimethyl-
- 7,8-dimethyl-1,5-dihydro-2,4-benzodithiepine
- 1,5-Dihydro-7,8-dimethylbenzo-2,4-dithiepin
- 36568-23-7
- EINECS 253-109-2
- DTXSID50190066
- AKOS024307490
- NS00030059
-
- Inchi： 1S/C11H14S2/c1-8-3-10-5-12-7-13-6-11(10)4-9(8)2/h3-4H,5-7H2,1-2H3
- InChI Key： SMVKOIBFWKSJBJ-UHFFFAOYSA-N
- SMILES： S1CSCC2C=C(C)C(C)=CC=2C1
Computed Properties
- Exact Mass: 210.05382
- Monoisotopic Mass: 210.054
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 152
- 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: 3.4
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- Density: 1.133
- Boiling Point: 353.2°C at 760 mmHg
- Flash Point: 174.3°C
- Refractive Index: 1.611
- PSA: 0
2,4-Benzodithiepin,1,5-dihydro-7,8-dimethyl- Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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