![2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine structure](/static/products/202/202201-87-4.png)
2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine
TL;DR: 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS 202201-87-4) is a chemical compound with molecular formula C16H11N3S2 and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-thiocyanato-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl) thiocyanate
Also Known As: 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine, 10,11-dihydro-5H-dibenzo[b,f]azepine-2,8-diyl bis(thiocyanate), (3-thiocyanato-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl) thiocyanate, 8-(cyanosulfanyl)-10,11-dihydro-5H-dibenzo[b,f]azepin-2-yl thiocyanate
| Molecular Formula | C16H11N3S2 |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 4.67516 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.03943 |
| Heavy Atoms | 21 |
| Complexity | 706.56714 |
Chemical Identifiers
| CAS Number | 202201-87-4 |
|---|---|
| SMILES | C1CC2=C(C=CC(=C2)SC#N)NC3=C1C=C(C=C3)SC#N |
Product Overview
2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine (CAS 202201-87-4), with molecular formula C16H11N3S2 and molecular weight 309.04 g/mol. IUPAC: (3-thiocyanato-6,11-dihydro-5H-benzo[b][1]benzazepin-8-yl) thiocyanate.
Chemical Property Profile of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine
Property Insights of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine
The XLogP value of 4.67516 indicates that 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine?
The CAS number of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine is 202201-87-4.
What is the molecular formula of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine?
The molecular formula of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine is C16H11N3S2.
What is the molecular weight of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine?
The molecular weight of 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine is 309.04 g/mol.
Where can I buy 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine?
You can request a quote for 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine?
Yes, KEHONG BIO provides custom synthesis services for 2,8-dithiocyanato-10,11-dihydro-5H-dibenzo[b,f]azepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.