2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
TL;DR: 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione (CAS 145603-08-3) is a chemical compound with molecular formula C11H13NS2 and molecular weight 223.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3,5-dihydro-1,5-benzothiazepine-4-thione
Also Known As: 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione, 2,2-dimethyl-3,5-dihydro-1,5-benzothiazepine-4-thione, AO-435/40771206, 2,3-Dihydro-2,2-dimethyl-1,5-benzothiazepine-4(5H)-thione, 2,2-dimethyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-4-thione
| Molecular Formula | C11H13NS2 |
|---|---|
| Molecular Weight | 223.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.04893 |
| Heavy Atoms | 14 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 145603-08-3 |
|---|---|
| SMILES | CC1(CC(=S)NC2=CC=CC=C2S1)C |
| InChIKey | GXHAWMRBLUPWIB-UHFFFAOYSA-N |
Product Overview
2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione (CAS 145603-08-3), with molecular formula C11H13NS2 and molecular weight 223.05 g/mol. IUPAC: 2,2-dimethyl-3,5-dihydro-1,5-benzothiazepine-4-thione.
Chemical Property Profile of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
Property Insights of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione. Following Lipinski's Rule of Five, 2,2-dimethyl-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 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The CAS number of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is 145603-08-3.
What is the molecular formula of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The molecular formula of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is C11H13NS2.
What is the molecular weight of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
The molecular weight of 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione is 223.05 g/mol.
Where can I buy 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
You can request a quote for 2,2-dimethyl-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 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.