Cas no 133513-18-5 (3,4,6,7-tetrachlorodibenzo[b,d]thiophene)
![3,4,6,7-tetrachlorodibenzo[b,d]thiophene structure](https://ossimg.kuujia.com/scimg/134000/133513-18-5x500.png)
133513-18-5 structure
Product Name:3,4,6,7-tetrachlorodibenzo[b,d]thiophene
CAS No:133513-18-5
MF:C12H4Cl4S
MW:322.03715801239
CID:1233005
PubChem ID:86405
Update Time:2025-04-20
3,4,6,7-tetrachlorodibenzo[b,d]thiophene Chemical and Physical Properties
Names and Identifiers
-
- 3,4,6,7-tetrachlorodibenzo[b,d]thiophene
- 3,4,6,7-tetrachlorodibenzothiophene
- 133513-18-5
- DTXSID80158154
- Dibenzothiophene, 3,4,6,7-tetrachloro-
-
- Inchi： 1S/C12H4Cl4S/c13-7-3-1-5-6-2-4-8(14)10(16)12(6)17-11(5)9(7)15/h1-4H
- InChI Key： LPMBNIAZMVFJKV-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC2=C1SC1C(=C(C=CC2=1)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: 272
- 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
3,4,6,7-tetrachlorodibenzo[b,d]thiophene Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Wan Lab Chip, 2020,20, 4528-4538
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