TL;DR: Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- (CAS 69195-54-6) is a chemical compound with molecular formula C14H12ClNS and molecular weight 261.0379 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-amine
Also Known As: 10-Amino-8-chloro-10,11-dihydrodibenzo[b,f]thiepin, 3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-amine, 8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-amine, Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro-, 8-CHLORO-10,11-DIHYDRODIBENZO(B,F)THIEPIN-10-AMINE
| Molecular Formula | C14H12ClNS |
| Molecular Weight | 261.0379 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 51.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 261.0379 Da |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
| SMILES | C1C(C2=C(C=CC(=C2)Cl)SC3=CC=CC=C31)N |
| InChIKey | UEHJPRSQPKQLIT-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.3 Ų, Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- is 69195-54-6.
The molecular formula of Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- is C14H12ClNS.
The molecular weight of Dibenzo[b,f]thiepin-10-amine, 8-chloro-10,11-dihydro- is 261.0379 g/mol.
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