Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol
TL;DR: Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol (CAS 122033-04-9) is a chemical compound with molecular formula C14H9N3S2 and molecular weight 283.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene-17-thiol
Also Known As: Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol, 8-Thio-(1,2,4)-triazolo(4,3-d)(b,e)-1,4-dibenzothiazepine, Dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine-6-thiol, Dibenzo[b,f]-1,2,4-triazolo[4,3-d][1,4]thiazepine-6-thiol, 8-Thio-(1,2,4)-triazolo<4,3-d>
| Molecular Formula | C14H9N3S2 |
|---|---|
| Molecular Weight | 283.02 g/mol |
| LogP | 3.6876 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.0238 |
| Heavy Atoms | 19 |
| Complexity | 779.8672 |
Chemical Identifiers
| CAS Number | 122033-04-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=NN=CN3C4=C(S2)C=CC(=C4)S |
Product Overview
Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol (CAS 122033-04-9), with molecular formula C14H9N3S2 and molecular weight 283.02 g/mol. IUPAC: 13-thia-2,4,5-triazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7,9,11,15,17-octaene-17-thiol.
Chemical Property Profile of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol
Property Insights of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol
The XLogP value of 3.6876 indicates that Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol has 1 hydrogen bond donor(s) and 4 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 Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol?
The CAS number of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol is 122033-04-9.
What is the molecular formula of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol?
The molecular formula of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol is C14H9N3S2.
What is the molecular weight of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol?
The molecular weight of Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol is 283.02 g/mol.
Where can I buy Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol?
You can request a quote for Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)-1,2,4-triazolo(4,3-d)(1,4)thiazepine-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.