Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester
TL;DR: Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester (CAS 165549-77-9) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.0383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate
Also Known As: UC-38 deriv., Acyclic oxathiin Carboxanilide deriv., Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester, methyl 2-chloro-5-(propan-2-yloxycarbothioylamino)benzoate, methyl 2-chloro-5-(isopropoxycarbothioylamino)benzoate
Technical Specifications
| Molecular Formula | C12H14ClNO3S |
| Molecular Weight | 287.0383 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.0383 Da |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
| SMILES | CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C(=O)OC |
| InChIKey | RHCFIQLGWVMCCT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester
Property Insights of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester
The XLogP value of 3.4 indicates that Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl 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-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl 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-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester?
The CAS number of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester is 165549-77-9.
What is the molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester is C12H14ClNO3S.
What is the molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester is 287.0383 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl 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-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-chloro-5-(((1-methylethoxy)thioxomethyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.