Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester
TL;DR: Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester (CAS 165549-94-0) is a chemical compound with molecular formula C13H14ClNO2S and molecular weight 283.04337 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-prop-2-ynoxyphenyl)carbamothioate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester, O-isopropyl N-(4-chloro-3-prop-2-ynoxy-phenyl)carbamothioate, O-propan-2-yl N-(4-chloro-3-prop-2-ynoxyphenyl)carbamothioate
Technical Specifications
| Molecular Formula | C13H14ClNO2S |
| Molecular Weight | 283.04337 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.04337 Da |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC#C |
| InChIKey | ZKJPSDGMTGNTBD-UHFFFAOYSA-N |
Chemical Property Profile of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester
Property Insights of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester
The XLogP value of 3.6 indicates that Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester has 1 hydrogen bond donor(s) and 3 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-propynyloxy)phenyl)-, O-(1-methylethyl) ester?
The CAS number of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester is 165549-94-0.
What is the molecular formula of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester?
The molecular formula of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester is C13H14ClNO2S.
What is the molecular weight of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester?
The molecular weight of Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester is 283.04337 g/mol.
Where can I buy Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester?
You can request a quote for Carbamothioic acid, (4-chloro-3-(2-propynyloxy)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-propynyloxy)phenyl)-, O-(1-methylethyl) ester?
Yes, CoreyChem provides custom synthesis services for Carbamothioic acid, (4-chloro-3-(2-propynyloxy)phenyl)-, O-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.