S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate
TL;DR: S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate (CAS 63746-95-2) is a chemical compound with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate
Also Known As: S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate, S-2-Hydroxyphenyl (2-methyl-5-nitrophenyl)carbamothioate
| Molecular Formula | C14H12N2O4S |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0518 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 63746-95-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)SC2=CC=CC=C2O |
| InChIKey | SOJARGVSWLVODD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate (CAS 63746-95-2), with molecular formula C14H12N2O4S and molecular weight 304.05 g/mol. IUPAC: S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate.
Chemical Property Profile of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate
Property Insights of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate
The XLogP value of 3.4 indicates that S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate. Following Lipinski's Rule of Five, S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate has 2 hydrogen bond donor(s) and 5 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 S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate?
The CAS number of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate is 63746-95-2.
What is the molecular formula of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate?
The molecular formula of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate is C14H12N2O4S.
What is the molecular weight of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate?
The molecular weight of S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate is 304.05 g/mol.
Where can I buy S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate?
You can request a quote for S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-hydroxyphenyl) N-(2-methyl-5-nitrophenyl)carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.