Carbamic acid, methylthio-, S-(p-nitrophenyl) ester
TL;DR: Carbamic acid, methylthio-, S-(p-nitrophenyl) ester (CAS 22873-15-0) is a chemical compound with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-nitrophenyl) N-methylcarbamothioate
Also Known As: MethylcarbamothioicacidS- ester, S-(4-nitrophenyl) methylcarbamothioate, S-(4-nitrophenyl) N-methylcarbamothioate, S-4-Nitrophenyl-N-methylthiolcarbamat, CARBAMIC ACID, METHYLTHIO-, S-(p-NITROPHENYL) ESTER
| Molecular Formula | C8H8N2O3S |
|---|---|
| Molecular Weight | 212.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.02556 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 22873-15-0 |
|---|---|
| SMILES | CNC(=O)SC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | MMQALLGJHGMBEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methylthio-, S-(p-nitrophenyl) ester (CAS 22873-15-0), with molecular formula C8H8N2O3S and molecular weight 212.03 g/mol. IUPAC: S-(4-nitrophenyl) N-methylcarbamothioate.
Chemical Property Profile of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester
Property Insights of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methylthio-, S-(p-nitrophenyl) ester. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methylthio-, S-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Carbamic acid, methylthio-, S-(p-nitrophenyl) ester has 1 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 Carbamic acid, methylthio-, S-(p-nitrophenyl) ester?
The CAS number of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester is 22873-15-0.
What is the molecular formula of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester?
The molecular formula of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester is C8H8N2O3S.
What is the molecular weight of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester?
The molecular weight of Carbamic acid, methylthio-, S-(p-nitrophenyl) ester is 212.03 g/mol.
Where can I buy Carbamic acid, methylthio-, S-(p-nitrophenyl) ester?
You can request a quote for Carbamic acid, methylthio-, S-(p-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methylthio-, S-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methylthio-, S-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.