TL;DR: Dibenzothiophene, 2,3,7,8-tetrachloro- (CAS 133513-17-4) is a chemical compound with molecular formula C12H4Cl4S and molecular weight 319.87878 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,7,8-tetrachlorodibenzothiophene
Also Known As: 2,3,7,8-tetrachlorodibenzothiophene, 2,3,7,8-tetrachlorodibenzo[b,d]thiophene, Dibenzothiophene, 2,3,7,8-tetrachloro-, 4,5,11,12-tetrachloro-8-thiatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H4Cl4S |
| Molecular Weight | 319.87878 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 28.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.87582 Da |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
| SMILES | C1=C2C3=CC(=C(C=C3SC2=CC(=C1Cl)Cl)Cl)Cl |
| InChIKey | GIMOCSHBYLEEKS-UHFFFAOYSA-N |
The XLogP value of 7.1 indicates that Dibenzothiophene, 2,3,7,8-tetrachloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.2 Ų, Dibenzothiophene, 2,3,7,8-tetrachloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzothiophene, 2,3,7,8-tetrachloro- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Dibenzothiophene, 2,3,7,8-tetrachloro- is 133513-17-4.
The molecular formula of Dibenzothiophene, 2,3,7,8-tetrachloro- is C12H4Cl4S.
The molecular weight of Dibenzothiophene, 2,3,7,8-tetrachloro- is 319.87878 g/mol.
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