Cas no 133513-15-2 (1,2,7,8-tetrachlorodibenzo[b,d]thiophenato)
![1,2,7,8-tetrachlorodibenzo[b,d]thiophenato structure](https://ossimg.kuujia.com/scimg/134000/133513-15-2x500.png)
133513-15-2 structure
Product Name:1,2,7,8-tetrachlorodibenzo[b,d]thiophenato
CAS No:133513-15-2
MF:C12H4Cl4S
MW:322.03715801239
CID:1233157
PubChem ID:179220
Update Time:2025-04-20
1,2,7,8-tetrachlorodibenzo[b,d]thiophenato Chemical and Physical Properties
Names and Identifiers
-
- 1,2,7,8-tetrachlorodibenzo[b,d]thiophenato
- 1,2,7,8-tetrachlorodibenzothiophene
- 133513-15-2
- DTXSID60158152
- Dibenzothiophene, 1,2,7,8-tetrachloro-
-
- Inchi： 1S/C12H4Cl4S/c13-6-1-2-9-11(12(6)16)5-3-7(14)8(15)4-10(5)17-9/h1-4H
- InChI Key： GALBCWISNKMGTL-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC2=C1C1C=C(C(=CC=1S2)Cl)Cl)Cl
Computed Properties
- Exact Mass: 319.87902
- Monoisotopic Mass: 319.878782g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 300
- 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: 6.8
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
1,2,7,8-tetrachlorodibenzo[b,d]thiophenato Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jason Wan Lab Chip, 2020,20, 4528-4538
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