N-苄基-1,3,2-苯并二硫唑S-氧化物
TL;DR: N-苄基-1,3,2-苯并二硫唑S-氧化物 (CAS 17164-59-9) is a chemical compound with molecular formula C13H11NOS2 and molecular weight 261.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-苄基-1,3,2-苯并二硫唑S-氧化物
2-benzyl-1λ4,3,2-benzodithiazole 1-oxide
Also Known As: 2-benzyl-1, N-Bz-1,3,2-Bdtso, N-Benzyl-1,3,2-benzodithiazole S-oxide, 2-Benzyl-1$l^{4}, 2-benzyl-1,3,2-benzodithiazole 1-oxide
| Molecular Formula | C13H11NOS2 |
|---|---|
| Molecular Weight | 261.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.0282 |
| Heavy Atoms | 17 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 17164-59-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2SC3=CC=CC=C3S2=O |
| InChIKey | HJBJVVJKXTUDQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-苄基-1,3,2-苯并二硫唑S-氧化物 (CAS 17164-59-9), with molecular formula C13H11NOS2 and molecular weight 261.03 g/mol. IUPAC: 2-benzyl-1λ4,3,2-benzodithiazole 1-oxide.
Chemical Property Profile of N-苄基-1,3,2-苯并二硫唑S-氧化物
Property Insights of N-苄基-1,3,2-苯并二硫唑S-氧化物
The XLogP value of 3.2 indicates that N-苄基-1,3,2-苯并二硫唑S-氧化物 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-苄基-1,3,2-苯并二硫唑S-氧化物. Following Lipinski's Rule of Five, N-苄基-1,3,2-苯并二硫唑S-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 N-苄基-1,3,2-苯并二硫唑S-氧化物?
The CAS number of N-苄基-1,3,2-苯并二硫唑S-氧化物 is 17164-59-9.
What is the molecular formula of N-苄基-1,3,2-苯并二硫唑S-氧化物?
The molecular formula of N-苄基-1,3,2-苯并二硫唑S-氧化物 is C13H11NOS2.
What is the molecular weight of N-苄基-1,3,2-苯并二硫唑S-氧化物?
The molecular weight of N-苄基-1,3,2-苯并二硫唑S-氧化物 is 261.03 g/mol.
Where can I buy N-苄基-1,3,2-苯并二硫唑S-氧化物?
You can request a quote for N-苄基-1,3,2-苯并二硫唑S-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 N-苄基-1,3,2-苯并二硫唑S-氧化物?
Yes, KEHONG BIO provides custom synthesis services for N-苄基-1,3,2-苯并二硫唑S-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.