2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑
TL;DR: 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 (CAS 16832-62-5) is a chemical compound with molecular formula C13H16N2S2 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑
2-(azepan-1-ylsulfanyl)-1,3-benzothiazole
Also Known As: 1H-Azepine, 1-(2-benzothiazolylthio)hexahydro-, 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole, 2-azepan-1-ylsulfanyl-benzothiazole, N-Hexamethylen-2-benzthiazol-sulfamid, Benzothiazole, 2-((hexahydro-1H-azepin-1-yl)thio)-
| Molecular Formula | C13H16N2S2 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0755 |
| Heavy Atoms | 17 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 16832-62-5 |
|---|---|
| SMILES | C1CCCN(CC1)SC2=NC3=CC=CC=C3S2 |
| InChIKey | RTFZYCYHJXKQHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 (CAS 16832-62-5), with molecular formula C13H16N2S2 and molecular weight 264.08 g/mol. IUPAC: 2-(azepan-1-ylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑
Property Insights of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑
The XLogP value of 4.3 indicates that 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑. Following Lipinski's Rule of Five, 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 has 0 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 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑?
The CAS number of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 is 16832-62-5.
What is the molecular formula of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑?
The molecular formula of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 is C13H16N2S2.
What is the molecular weight of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑?
The molecular weight of 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 is 264.08 g/mol.
Where can I buy 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑?
You can request a quote for 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑?
Yes, KEHONG BIO provides custom synthesis services for 2-((六氢-1H-氮杂䓬-1-基)硫基)苯并噻唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.