Bis(2-isothiocyanatophenyl) sulfone
TL;DR: Bis(2-isothiocyanatophenyl) sulfone (CAS 452-70-0) is a chemical compound with molecular formula C14H8N2O2S3 and molecular weight 331.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene
Also Known As: bis(2-isothiocyanatophenyl) sulfone, Isothiocyanatophenyl sulfone, 2,2'-sulfonylbis(isothiocyanatobenzene), 1,1'-sulfonylbis(2-isothiocyanatobenzene), 1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene
| Molecular Formula | C14H8N2O2S3 |
|---|---|
| Molecular Weight | 331.97 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.9748 |
| Heavy Atoms | 21 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 452-70-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=C=S)S(=O)(=O)C2=CC=CC=C2N=C=S |
| InChIKey | OUMDLRNQGOKXMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-isothiocyanatophenyl) sulfone (CAS 452-70-0), with molecular formula C14H8N2O2S3 and molecular weight 331.97 g/mol. IUPAC: 1-isothiocyanato-2-(2-isothiocyanatophenyl)sulfonylbenzene.
Chemical Property Profile of Bis(2-isothiocyanatophenyl) sulfone
Property Insights of Bis(2-isothiocyanatophenyl) sulfone
The XLogP value of 5.5 indicates that Bis(2-isothiocyanatophenyl) sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-isothiocyanatophenyl) sulfone. Following Lipinski's Rule of Five, Bis(2-isothiocyanatophenyl) sulfone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2-isothiocyanatophenyl) sulfone?
The CAS number of Bis(2-isothiocyanatophenyl) sulfone is 452-70-0.
What is the molecular formula of Bis(2-isothiocyanatophenyl) sulfone?
The molecular formula of Bis(2-isothiocyanatophenyl) sulfone is C14H8N2O2S3.
What is the molecular weight of Bis(2-isothiocyanatophenyl) sulfone?
The molecular weight of Bis(2-isothiocyanatophenyl) sulfone is 331.97 g/mol.
Where can I buy Bis(2-isothiocyanatophenyl) sulfone?
You can request a quote for Bis(2-isothiocyanatophenyl) sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-isothiocyanatophenyl) sulfone?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-isothiocyanatophenyl) sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.