Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester
TL;DR: Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester (CAS 178870-25-2) is a chemical compound with molecular formula C15H14ClNO2S2 and molecular weight 339.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-chloro-5-(thiophene-3-carbothioylamino)benzoate
Also Known As: Thiophenecarbothioanilide deriv., Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester, isopropyl 2-chloro-5-(thiophene-3-carbothioylamino)benzoate, propan-2-yl 2-chloro-5-(thiophene-3-carbothioylamino)benzoate, Propan-2-yl 2-chloro-5-[(thiophene-3-carbothioyl)amino]benzoate
| Molecular Formula | C15H14ClNO2S2 |
|---|---|
| Molecular Weight | 339.02 g/mol |
| LogP | 4.7543 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.01544 |
| Heavy Atoms | 21 |
| Complexity | 653.6982 |
Chemical Identifiers
| CAS Number | 178870-25-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CSC=C2)Cl |
Product Overview
Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester (CAS 178870-25-2), with molecular formula C15H14ClNO2S2 and molecular weight 339.02 g/mol. IUPAC: propan-2-yl 2-chloro-5-(thiophene-3-carbothioylamino)benzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester
Property Insights of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester
The XLogP value of 4.7543 indicates that Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester?
The CAS number of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester is 178870-25-2.
What is the molecular formula of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester?
The molecular formula of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester is C15H14ClNO2S2.
What is the molecular weight of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester?
The molecular weight of Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester is 339.02 g/mol.
Where can I buy Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester?
You can request a quote for Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, 1-methylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.