7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
TL;DR: 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione (CAS 110766-73-9) is a chemical compound with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3,5-dihydro-2H-1,5-benzothiazepine-4-thione
Also Known As: 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione, 7-chloro-3,5-dihydro-2H-1,5-benzothiazepine-4-thione, 7-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-thione, 1,5-Benzothiazepine-4(5H)-thione, 7-chloro-2,3-dihydro-
| Molecular Formula | C9H8ClNS2 |
|---|---|
| Molecular Weight | 228.98 g/mol |
| LogP | 3.5751 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.97867 |
| Heavy Atoms | 13 |
| Complexity | 351.468 |
Chemical Identifiers
| CAS Number | 110766-73-9 |
|---|---|
| SMILES | C1CSC2=C(C=C(C=C2)Cl)NC1=S |
Product Overview
7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione (CAS 110766-73-9), with molecular formula C9H8ClNS2 and molecular weight 228.98 g/mol. IUPAC: 7-chloro-3,5-dihydro-2H-1,5-benzothiazepine-4-thione.
Chemical Property Profile of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
Property Insights of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
The XLogP value of 3.5751 indicates that 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-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 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The CAS number of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is 110766-73-9.
What is the molecular formula of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The molecular formula of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is C9H8ClNS2.
What is the molecular weight of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The molecular weight of 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is 228.98 g/mol.
Where can I buy 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
You can request a quote for 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.