Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester (CAS 135812-36-1) is a chemical compound with molecular formula C16H22ClNO3S and molecular weight 343.1009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl 2-chloro-5-(pentoxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-(pentoxycarbothioylamino)benzoate, propan-2-yl 2-chloro-5-(pentoxycarbothioylamino)benzoate
Technical Specifications
| Molecular Formula | C16H22ClNO3S |
| Molecular Weight | 343.1009 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.1009 Da |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
| SMILES | CCCCCOC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC(C)C |
| InChIKey | WUYOWHZRZOMGMX-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester
The XLogP value of 5.2 indicates that Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)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-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester is 135812-36-1.
What is the molecular formula of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester is C16H22ClNO3S.
What is the molecular weight of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester is 343.1009 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)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-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-chloro-5-(((pentyloxy)thioxomethyl)amino)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.