2,5-二异硫氰酸根合苯磺酸盐
TL;DR: 2,5-二异硫氰酸根合苯磺酸盐 (CAS 384819-92-5) is a chemical compound with molecular formula C8H4N2O3S3 and molecular weight 271.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-二异硫氰酸根合苯磺酸盐
2,5-diisothiocyanatobenzenesulfonic acid
Also Known As: 2,5-Diisothiocyanatobenzenesulfonate, 2,5-Diisothiocyanatobenzenesulfonic acid, 2,5-Bis(isothiocyanato)benzenesulfonicacid, 2,5-Diisothiocyanato-benzenesulphonic acid, 2,5-diisothiocyanatobenzene-1-sulfonic acid
| Molecular Formula | C8H4N2O3S3 |
|---|---|
| Molecular Weight | 271.94 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.93842 |
| Heavy Atoms | 16 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 384819-92-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)N=C=S |
| InChIKey | GAZYMQNPYHXJCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-二异硫氰酸根合苯磺酸盐 (CAS 384819-92-5), with molecular formula C8H4N2O3S3 and molecular weight 271.94 g/mol. IUPAC: 2,5-diisothiocyanatobenzenesulfonic acid.
Chemical Property Profile of 2,5-二异硫氰酸根合苯磺酸盐
Property Insights of 2,5-二异硫氰酸根合苯磺酸盐
The XLogP value of 3.5 indicates that 2,5-二异硫氰酸根合苯磺酸盐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting 2,5-二异硫氰酸根合苯磺酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-二异硫氰酸根合苯磺酸盐 has 1 hydrogen bond donor(s) and 7 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 2,5-二异硫氰酸根合苯磺酸盐?
The CAS number of 2,5-二异硫氰酸根合苯磺酸盐 is 384819-92-5.
What is the molecular formula of 2,5-二异硫氰酸根合苯磺酸盐?
The molecular formula of 2,5-二异硫氰酸根合苯磺酸盐 is C8H4N2O3S3.
What is the molecular weight of 2,5-二异硫氰酸根合苯磺酸盐?
The molecular weight of 2,5-二异硫氰酸根合苯磺酸盐 is 271.94 g/mol.
Where can I buy 2,5-二异硫氰酸根合苯磺酸盐?
You can request a quote for 2,5-二异硫氰酸根合苯磺酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-二异硫氰酸根合苯磺酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2,5-二异硫氰酸根合苯磺酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.