Phenylsulphonyl isocyanate
TL;DR: Phenylsulphonyl isocyanate (CAS 2845-62-7) is a chemical compound with molecular formula C7H5NO3S and molecular weight 183.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(oxomethylidene)benzenesulfonamide
Also Known As: Benzenesulfonyl isocyanate, Benzenesulfonylisocyanate, phenylsulfonylisocyanate, Phenylsulphonyl isocyanate, phenylsulfonyl isocyanate
| Molecular Formula | C7H5NO3S |
|---|---|
| Molecular Weight | 183.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.99901 |
| Heavy Atoms | 12 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 2845-62-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N=C=O |
| InChIKey | UJYAZVSPFMJCLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylsulphonyl isocyanate (CAS 2845-62-7), with molecular formula C7H5NO3S and molecular weight 183.00 g/mol. IUPAC: N-(oxomethylidene)benzenesulfonamide.
Chemical Property Profile of Phenylsulphonyl isocyanate
Property Insights of Phenylsulphonyl isocyanate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylsulphonyl isocyanate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylsulphonyl isocyanate. Following Lipinski's Rule of Five, Phenylsulphonyl isocyanate has 0 hydrogen bond donor(s) and 4 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 Phenylsulphonyl isocyanate?
The CAS number of Phenylsulphonyl isocyanate is 2845-62-7.
What is the molecular formula of Phenylsulphonyl isocyanate?
The molecular formula of Phenylsulphonyl isocyanate is C7H5NO3S.
What is the molecular weight of Phenylsulphonyl isocyanate?
The molecular weight of Phenylsulphonyl isocyanate is 183.00 g/mol.
Where can I buy Phenylsulphonyl isocyanate?
You can request a quote for Phenylsulphonyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylsulphonyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for Phenylsulphonyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.