Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester (CAS 135812-35-0) 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.
propan-2-yl 2-chloro-5-(ethoxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-(ethoxycarbothioylamino)benzoate, propan-2-yl 2-chloro-5-(ethoxycarbothioylamino)benzoate
Technical Specifications
| Molecular Formula | C13H16ClNO3S |
| Molecular Weight | 301.05396 g/mol |
| XLogP | 3.7 |
| 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 | CCOC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)C |
| InChIKey | RGGRGLJSZYJTHE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester
The XLogP value of 3.7 indicates that Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 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 Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 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 Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is 135812-35-0.
What is the molecular formula of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is C13H16ClNO3S.
What is the molecular weight of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester is 301.05396 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-chloro-5-((ethoxythioxomethyl)amino)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.