Cas no 134734-82-0 (Dibenzothiophene,heptachloro-)
Dibenzothiophene,heptachloro- structure
Product Name:Dibenzothiophene,heptachloro-
CAS No:134734-82-0
MF:C12HCl7S
MW:425.372335195541
CID:232197
PubChem ID:179301
Update Time:2025-04-19
Dibenzothiophene,heptachloro- Chemical and Physical Properties
Names and Identifiers
-
- Dibenzothiophene,heptachloro-
- 1,2,3,4,6,7,8-heptachlorodibenzothiophene
- DTXSID40158918
- Heptachlorodibenzothiophene
- Dibenzothiophene, heptachloro-
- 134734-82-0
-
- Inchi： 1S/C12HCl7S/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H
- InChI Key： LPPTVBOUIAQBSN-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=C(C2=C1C1C=C(C(=C(C=1S2)Cl)Cl)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 421.76223
- Monoisotopic Mass: 421.761865g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 383
- 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: 8.5
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Dibenzothiophene,heptachloro- Related Literature
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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