o-Toluenesulfonyl Isocyanate
TL;DR: o-Toluenesulfonyl Isocyanate (CAS 124874-16-4) is a chemical compound with molecular formula C8H7NO3S and molecular weight 197.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(oxomethylidene)benzenesulfonamide
Also Known As: 2-Toluenesulfonyl isocyanate, o-Toluenesulfonyl isocyanate, toluenesulfonyl isocyanate, 2-methylbenzenesulfonyl isocyanate, 2-Methylbenesulfonyl isocyanate
| Molecular Formula | C8H7NO3S |
|---|---|
| Molecular Weight | 197.01 g/mol |
| LogP | 1.01952 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.01466 |
| Heavy Atoms | 13 |
| Complexity | 458.0324 |
Chemical Identifiers
| CAS Number | 124874-16-4 |
|---|---|
| SMILES | CC1=CC=CC=C1S(=O)(=O)N=C=O |
Product Overview
o-Toluenesulfonyl Isocyanate (CAS 124874-16-4), with molecular formula C8H7NO3S and molecular weight 197.01 g/mol. IUPAC: 2-methyl-N-(oxomethylidene)benzenesulfonamide.
Chemical Property Profile of o-Toluenesulfonyl Isocyanate
Property Insights of o-Toluenesulfonyl Isocyanate
The XLogP value of 1.01952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluenesulfonyl Isocyanate. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Toluenesulfonyl Isocyanate. Following Lipinski's Rule of Five, o-Toluenesulfonyl Isocyanate has 0 hydrogen bond donor(s) and 3 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 o-Toluenesulfonyl Isocyanate?
The CAS number of o-Toluenesulfonyl Isocyanate is 124874-16-4.
What is the molecular formula of o-Toluenesulfonyl Isocyanate?
The molecular formula of o-Toluenesulfonyl Isocyanate is C8H7NO3S.
What is the molecular weight of o-Toluenesulfonyl Isocyanate?
The molecular weight of o-Toluenesulfonyl Isocyanate is 197.01 g/mol.
Where can I buy o-Toluenesulfonyl Isocyanate?
You can request a quote for o-Toluenesulfonyl Isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluenesulfonyl Isocyanate?
Yes, KEHONG BIO provides custom synthesis services for o-Toluenesulfonyl Isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.