Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione
TL;DR: Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione (CAS 30690-43-8) is a chemical compound with molecular formula C13H9NS2 and molecular weight 243.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5H-benzo[b][1,4]benzothiazepine-6-thione
Also Known As: Dibenzo[b,f][1,4]thiazepine-11(10H)-thione, 5H-benzo[b][1,4]benzothiazepine-6-thione, J2.664.370H, Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione, dibenzo[b,f]-1,4-thiazepin-11(10H)-thione
| Molecular Formula | C13H9NS2 |
|---|---|
| Molecular Weight | 243.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 243.01764 |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 30690-43-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=S)NC3=CC=CC=C3S2 |
| InChIKey | JDGIOVSBPLDWSM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione (CAS 30690-43-8), with molecular formula C13H9NS2 and molecular weight 243.02 g/mol. IUPAC: 5H-benzo[b][1,4]benzothiazepine-6-thione.
Chemical Property Profile of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione
Property Insights of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione
The XLogP value of 3.5 indicates that Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione. Following Lipinski's Rule of Five, Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione has 1 hydrogen bond donor(s) and 2 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)(1,4)thiazepine-11(10H)-thione?
The CAS number of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione is 30690-43-8.
What is the molecular formula of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione?
The molecular formula of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione is C13H9NS2.
What is the molecular weight of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione?
The molecular weight of Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione is 243.02 g/mol.
Where can I buy Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione?
You can request a quote for Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione 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)(1,4)thiazepine-11(10H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo(b,f)(1,4)thiazepine-11(10H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.