2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate
TL;DR: 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate (CAS 496808-00-5) is a chemical compound with molecular formula C8H8N2O5S3 and molecular weight 307.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diisothiocyanatobenzenesulfonic acid;dihydrate
Also Known As: 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate, 2,5-diisothiocyanato-benzenesulphonic acid 2 h2o, Benzenesulfonic acid,2,5-diisocyanato-, 2,5-diisothiocyanato-benzensulfonic aciddihydrate, 2,5-Diisothiocyanato-benzensulfonic acid dihydrate
| Molecular Formula | C8H8N2O5S3 |
|---|---|
| Molecular Weight | 307.96 g/mol |
| LogP | 0.7525 |
| Topological Polar Surface Area | 142.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.95953 |
| Heavy Atoms | 18 |
| Complexity | 615.6196 |
Chemical Identifiers
| CAS Number | 496808-00-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)S(=O)(=O)O)N=C=S.O.O |
Product Overview
2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate (CAS 496808-00-5), with molecular formula C8H8N2O5S3 and molecular weight 307.96 g/mol. IUPAC: 2,5-diisothiocyanatobenzenesulfonic acid;dihydrate.
Chemical Property Profile of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate
Property Insights of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate
The XLogP value of 0.7525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate. The TPSA of 142.09 Ų indicates high polarity, suggesting 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate has 1 hydrogen bond donor(s) and 6 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-diisothiocyanatobenzenesulfonic Acid Dihydrate?
The CAS number of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate is 496808-00-5.
What is the molecular formula of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate?
The molecular formula of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate is C8H8N2O5S3.
What is the molecular weight of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate?
The molecular weight of 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate is 307.96 g/mol.
Where can I buy 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate?
You can request a quote for 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,5-diisothiocyanatobenzenesulfonic Acid Dihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.