2-丙基-1,3,2-苯并二噻唑1-氧化物
TL;DR: 2-丙基-1,3,2-苯并二噻唑1-氧化物 (CAS 145025-18-9) is a chemical compound with molecular formula C9H11NOS2 and molecular weight 213.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丙基-1,3,2-苯并二噻唑1-氧化物
2-propyl-1λ4,3,2-benzodithiazole 1-oxide
Also Known As: 2-propyl-1, N-propyl-1,3,2-benzodithiazole S-oxide, 2-Propyl-1,3,2-benzodithiazole 1-oxide, 2-Propylbenzo[d]1,3,2-dithiazoline, 1-oxide, 2-propyl-1$l^{4},3,2-benzodithiazole 1-oxide
| Molecular Formula | C9H11NOS2 |
|---|---|
| Molecular Weight | 213.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.02821 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 145025-18-9 |
|---|---|
| SMILES | CCCN1SC2=CC=CC=C2S1=O |
| InChIKey | DPEHBAVAXRKEGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-丙基-1,3,2-苯并二噻唑1-氧化物 (CAS 145025-18-9), with molecular formula C9H11NOS2 and molecular weight 213.03 g/mol. IUPAC: 2-propyl-1λ4,3,2-benzodithiazole 1-oxide.
Chemical Property Profile of 2-丙基-1,3,2-苯并二噻唑1-氧化物
Property Insights of 2-丙基-1,3,2-苯并二噻唑1-氧化物
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-丙基-1,3,2-苯并二噻唑1-氧化物. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丙基-1,3,2-苯并二噻唑1-氧化物. Following Lipinski's Rule of Five, 2-丙基-1,3,2-苯并二噻唑1-氧化物 has 0 hydrogen bond donor(s) and 3 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-丙基-1,3,2-苯并二噻唑1-氧化物?
The CAS number of 2-丙基-1,3,2-苯并二噻唑1-氧化物 is 145025-18-9.
What is the molecular formula of 2-丙基-1,3,2-苯并二噻唑1-氧化物?
The molecular formula of 2-丙基-1,3,2-苯并二噻唑1-氧化物 is C9H11NOS2.
What is the molecular weight of 2-丙基-1,3,2-苯并二噻唑1-氧化物?
The molecular weight of 2-丙基-1,3,2-苯并二噻唑1-氧化物 is 213.03 g/mol.
Where can I buy 2-丙基-1,3,2-苯并二噻唑1-氧化物?
You can request a quote for 2-丙基-1,3,2-苯并二噻唑1-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丙基-1,3,2-苯并二噻唑1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 2-丙基-1,3,2-苯并二噻唑1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.