Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester
TL;DR: Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester (CAS 64047-46-7) is a chemical compound with molecular formula C11H8N4O2S2 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide
Also Known As: 4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide, p-(2-Pyrimidylsulfamyl)phenyl isothiocyanate, 4-isothiocyanato-N-(pyrimidin-2-yl)benzenesulfonamide, 4-25-00-02108 (Beilstein Handbook Reference), 4-isothiocyanato-N-(pyrimidin-2-yl)benzene-1-sulfonamide
| Molecular Formula | C11H8N4O2S2 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 292.00888 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 64047-46-7 |
|---|---|
| SMILES | C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C=S |
| InChIKey | HZRFQEQYOQGXDQ-UHFFFAOYSA-N |
Product Overview
Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester (CAS 64047-46-7), with molecular formula C11H8N4O2S2 and molecular weight 292.01 g/mol. IUPAC: 4-isothiocyanato-N-pyrimidin-2-ylbenzenesulfonamide.
Chemical Property Profile of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester
Property Insights of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester. Following Lipinski's Rule of Five, Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester 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 Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester?
The CAS number of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester is 64047-46-7.
What is the molecular formula of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester?
The molecular formula of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester is C11H8N4O2S2.
What is the molecular weight of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester?
The molecular weight of Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester is 292.01 g/mol.
Where can I buy Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester?
You can request a quote for Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isothiocyanic acid, p-(2-pyrimidylsulfamyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.