N,N-Diisopropyl-2-benzothiazolesulfenamide
TL;DR: N,N-Diisopropyl-2-benzothiazolesulfenamide (CAS 95-29-4) is a chemical compound with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylsulfanyl)-N-propan-2-ylpropan-2-amine
Also Known As: Meramid P, Santocure IPS, DIPAC, Dipac (accelerator), DIBS
| Molecular Formula | C13H18N2S2 |
|---|---|
| Molecular Weight | 266.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.09116 |
| Heavy Atoms | 17 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 95-29-4 |
|---|---|
| SMILES | CC(C)N(C(C)C)SC1=NC2=CC=CC=C2S1 |
| InChIKey | ILSQBBRAYMWZLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N-Diisopropyl-2-benzothiazolesulfenamide (CAS 95-29-4), with molecular formula C13H18N2S2 and molecular weight 266.09 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylsulfanyl)-N-propan-2-ylpropan-2-amine.
Chemical Property Profile of N,N-Diisopropyl-2-benzothiazolesulfenamide
Property Insights of N,N-Diisopropyl-2-benzothiazolesulfenamide
The XLogP value of 4.5 indicates that N,N-Diisopropyl-2-benzothiazolesulfenamide 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 N,N-Diisopropyl-2-benzothiazolesulfenamide. Following Lipinski's Rule of Five, N,N-Diisopropyl-2-benzothiazolesulfenamide 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 N,N-Diisopropyl-2-benzothiazolesulfenamide?
The CAS number of N,N-Diisopropyl-2-benzothiazolesulfenamide is 95-29-4.
What is the molecular formula of N,N-Diisopropyl-2-benzothiazolesulfenamide?
The molecular formula of N,N-Diisopropyl-2-benzothiazolesulfenamide is C13H18N2S2.
What is the molecular weight of N,N-Diisopropyl-2-benzothiazolesulfenamide?
The molecular weight of N,N-Diisopropyl-2-benzothiazolesulfenamide is 266.09 g/mol.
Where can I buy N,N-Diisopropyl-2-benzothiazolesulfenamide?
You can request a quote for N,N-Diisopropyl-2-benzothiazolesulfenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Diisopropyl-2-benzothiazolesulfenamide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Diisopropyl-2-benzothiazolesulfenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.