Cas no 56348-82-4 (2,8-dichlorophenoxathiine)
2,8-dichlorophenoxathiine structure
Product Name:2,8-dichlorophenoxathiine
CAS No:56348-82-4
MF:C12H6Cl2OS
MW:269.146440029144
CID:1598177
PubChem ID:186693
Update Time:2025-04-21
2,8-dichlorophenoxathiine Chemical and Physical Properties
Names and Identifiers
-
- 2,8-dichlorophenoxathiine
- 56348-82-4
- Phenoxathiin, 2,8-dichloro-
- SCHEMBL9508175
- DTXSID10204895
-
- Inchi： 1S/C12H6Cl2OS/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9/h1-6H
- InChI Key： JAPHSHJOCFUELA-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)SC1C=C(C=CC=1O2)Cl
Computed Properties
- Exact Mass: 267.95178
- Monoisotopic Mass: 267.952
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 239
- 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: 5.8
- Topological Polar Surface Area: 34.5?2
Experimental Properties
- Density: 1.491
- Boiling Point: 378.2°C at 760 mmHg
- Flash Point: 182.5°C
- Refractive Index: 1.686
- PSA: 9.23
2,8-dichlorophenoxathiine Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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