Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester
TL;DR: Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester (CAS 165549-92-8) is a chemical compound with molecular formula C13H16ClNO3S and molecular weight 301.05396 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-propan-2-yl N-[4-chloro-3-(2-oxopropoxy)phenyl]carbamothioate
Also Known As: Carbamothioic acid deriv., UC33, Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester, o-Isopropyl (4-chloro-3-(2-oxo-propoxy)phenyl)thiocarbamate, (4-Chloro-3-(2-oxo-propoxy)-phenyl)-thiocarbamic acid O-isopropyl ester
Technical Specifications
| Molecular Formula | C13H16ClNO3S |
| Molecular Weight | 301.05396 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.05396 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC(=O)C |
| InChIKey | IWCUXTPHFLVGKW-UHFFFAOYSA-N |
Chemical Property Profile of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester
Property Insights of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester
The XLogP value of 3.3 indicates that Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) 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
What is the CAS number of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester?
The CAS number of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester is 165549-92-8.
What is the molecular formula of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester?
The molecular formula of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester is C13H16ClNO3S.
What is the molecular weight of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester?
The molecular weight of Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester is 301.05396 g/mol.
Where can I buy Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester?
You can request a quote for Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, (4-chloro-3-(2-oxopropoxy)phenyl)-, O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.