4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)
TL;DR: 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) (CAS 41287-69-8) is a chemical compound with molecular formula C22H26N4O2S3 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diethyl-2-isothiocyanatoaniline
Also Known As: 4,4'-sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline), 4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diet, 4-(4-diethylamino-3-isothiocyanato-phenyl)sulfonyl-N,N-diethyl-2-isothiocyanato-aniline, 4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diethyl-2-isothiocyanatoaniline
| Molecular Formula | C22H26N4O2S3 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 138.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 474.1218 |
| Heavy Atoms | 31 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 41287-69-8 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(CC)CC)N=C=S)N=C=S |
| InChIKey | FIMGKPNJVFDTLX-UHFFFAOYSA-N |
Product Overview
4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) (CAS 41287-69-8), with molecular formula C22H26N4O2S3 and molecular weight 474.12 g/mol. IUPAC: 4-[4-(diethylamino)-3-isothiocyanatophenyl]sulfonyl-N,N-diethyl-2-isothiocyanatoaniline.
Chemical Property Profile of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)
Property Insights of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)
The XLogP value of 7.2 indicates that 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline). Following Lipinski's Rule of Five, 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)?
The CAS number of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) is 41287-69-8.
What is the molecular formula of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)?
The molecular formula of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) is C22H26N4O2S3.
What is the molecular weight of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)?
The molecular weight of 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) is 474.12 g/mol.
Where can I buy 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)?
You can request a quote for 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Sulfonylbis(n,n-diethyl-2-isothiocyanatoaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.