苯并噻唑
TL;DR: 苯并噻唑 (CAS 95-16-9) is a chemical compound with molecular formula C7H5NS and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯并噻唑
1,3-benzothiazole
Also Known As: BENZOTHIAZOLE, BENZO[D]THIAZOLE, 1,3-Benzothiazole, Benzosulfonazole, Vangard BT
| Molecular Formula | C7H5NS |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.01427 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Melting Point | 2 °C |
| Boiling Point | 227-228 °C AT 765 MM HG |
| Density | 1.246 AT 20 °C |
| Solubility | SLIGHTLY SOL IN WATER; SOL IN ALC, CARBON DISULFIDE |
| Vapor Pressure | 0.01 [mmHg] |
| Refractive Index | 1.6379 AT 20 °C |
Chemical Identifiers
| CAS Number | 95-16-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CS2 |
| InChIKey | IOJUPLGTWVMSFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯并噻唑 (CAS 95-16-9), with molecular formula C7H5NS and molecular weight 135.01 g/mol. IUPAC: 1,3-benzothiazole.
Chemical Property Profile of 苯并噻唑
Property Insights of 苯并噻唑
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯并噻唑. With a topological polar surface area (TPSA) of 41.1 Ų, 苯并噻唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯并噻唑 has 0 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 苯并噻唑?
The CAS number of 苯并噻唑 is 95-16-9.
What is the molecular formula of 苯并噻唑?
The molecular formula of 苯并噻唑 is C7H5NS.
What is the molecular weight of 苯并噻唑?
The molecular weight of 苯并噻唑 is 135.01 g/mol.
Where can I buy 苯并噻唑?
You can request a quote for 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 苯并噻唑?
Yes, KEHONG BIO provides custom synthesis services for 苯并噻唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.