![1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] structure](/static/products/4125/41250-31-1.webp)
1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]
TL;DR: 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] (CAS 41250-31-1) is a chemical compound with molecular formula C28H20N2O4S3 and molecular weight 544.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
Also Known As: KST-1B4092, 1,1'-sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene], Benzene,1,1-sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)-, Benzene,1,1'-sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)-, 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene
| Molecular Formula | C28H20N2O4S3 |
|---|---|
| Molecular Weight | 544.06 g/mol |
| LogP | 9.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 544.05853 |
| Heavy Atoms | 37 |
| Complexity | 871.0 |
Chemical Identifiers
| CAS Number | 41250-31-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC2=C(C=C(C=C2)S(=O)(=O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)C)N=C=S)N=C=S |
| InChIKey | LRSAGRIYVFVNIP-UHFFFAOYSA-N |
Product Overview
1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] (CAS 41250-31-1), with molecular formula C28H20N2O4S3 and molecular weight 544.06 g/mol. IUPAC: 2-isothiocyanato-4-[3-isothiocyanato-4-(4-methylphenoxy)phenyl]sulfonyl-1-(4-methylphenoxy)benzene.
Chemical Property Profile of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]
Property Insights of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]
The XLogP value of 9.3 indicates that 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] 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 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]?
The CAS number of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] is 41250-31-1.
What is the molecular formula of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]?
The molecular formula of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] is C28H20N2O4S3.
What is the molecular weight of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]?
The molecular weight of 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] is 544.06 g/mol.
Where can I buy 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]?
You can request a quote for 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene]?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Sulfonylbis[3-isothiocyanato-4-(4-methylphenoxy)benzene] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.