N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide
TL;DR: N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide (CAS 110799-28-5) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutan-2-amine
Also Known As: N-tert-Amyl-2-benzothiazolesulfenamide, N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide, J1.519.315H, EC 404-380-2, N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutan-2-amine
| Molecular Formula | C12H16N2S2 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 4.0816 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07549 |
| Heavy Atoms | 16 |
| Complexity | 443.57843 |
Chemical Identifiers
| CAS Number | 110799-28-5 |
|---|---|
| SMILES | CCC(C)(C)NSC1=NC2=CC=CC=C2S1 |
Product Overview
N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide (CAS 110799-28-5), with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol. IUPAC: N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylbutan-2-amine.
Chemical Property Profile of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide
Property Insights of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide
The XLogP value of 4.0816 indicates that N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide has 1 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-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide?
The CAS number of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide is 110799-28-5.
What is the molecular formula of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide?
The molecular formula of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide is C12H16N2S2.
What is the molecular weight of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide?
The molecular weight of N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide is 252.08 g/mol.
Where can I buy N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide?
You can request a quote for N-(1,1-Dimethylpropyl)-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-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-Dimethylpropyl)-2-benzothiazolesulfenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.