N-tert-Butyl-di(2-benzothiazolesulfen)amide
TL;DR: N-tert-Butyl-di(2-benzothiazolesulfen)amide (CAS 3741-80-8) is a chemical compound with molecular formula C18H17N3S4 and molecular weight 403.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
Also Known As: Santocure TBSI, TBSI, Dimethylchlorophosphite, N-tert-Butyl-di(2-benzothiazolesulfen)amide, n-(1,1-dimethylethyl)bis(2-benzothiazolesulfen)amide
| Molecular Formula | C18H17N3S4 |
|---|---|
| Molecular Weight | 403.03 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.03052 |
| Heavy Atoms | 25 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 3741-80-8 |
|---|---|
| SMILES | CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3 |
| InChIKey | VILGDADBAQFRJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-tert-Butyl-di(2-benzothiazolesulfen)amide (CAS 3741-80-8), with molecular formula C18H17N3S4 and molecular weight 403.03 g/mol. IUPAC: N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine.
Chemical Property Profile of N-tert-Butyl-di(2-benzothiazolesulfen)amide
Property Insights of N-tert-Butyl-di(2-benzothiazolesulfen)amide
The XLogP value of 6.8 indicates that N-tert-Butyl-di(2-benzothiazolesulfen)amide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-tert-Butyl-di(2-benzothiazolesulfen)amide. Following Lipinski's Rule of Five, N-tert-Butyl-di(2-benzothiazolesulfen)amide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-tert-Butyl-di(2-benzothiazolesulfen)amide?
The CAS number of N-tert-Butyl-di(2-benzothiazolesulfen)amide is 3741-80-8.
What is the molecular formula of N-tert-Butyl-di(2-benzothiazolesulfen)amide?
The molecular formula of N-tert-Butyl-di(2-benzothiazolesulfen)amide is C18H17N3S4.
What is the molecular weight of N-tert-Butyl-di(2-benzothiazolesulfen)amide?
The molecular weight of N-tert-Butyl-di(2-benzothiazolesulfen)amide is 403.03 g/mol.
Where can I buy N-tert-Butyl-di(2-benzothiazolesulfen)amide?
You can request a quote for N-tert-Butyl-di(2-benzothiazolesulfen)amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-tert-Butyl-di(2-benzothiazolesulfen)amide?
Yes, KEHONG BIO provides custom synthesis services for N-tert-Butyl-di(2-benzothiazolesulfen)amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.