Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester
TL;DR: Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester (CAS 86910-93-2) is a chemical compound with molecular formula C19H16N4O4S3 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate
Also Known As: Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester, [2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate, 2-{[(5-{[(2-Methoxyphenyl)carbamothioyl]amino}-1,3,4-thiadiazol-2-yl)sulfanyl]carbonyl}phenyl acetate, RefChem:324443
| Molecular Formula | C19H16N4O4S3 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 102.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.03336 |
| Heavy Atoms | 30 |
| Complexity | 1086.9012 |
Chemical Identifiers
| CAS Number | 86910-93-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)SC2=NN=C(S2)NC(=S)NC3=CC=CC=C3OC |
Product Overview
Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester (CAS 86910-93-2), with molecular formula C19H16N4O4S3 and molecular weight 460.03 g/mol. IUPAC: [2-[[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl]sulfanylcarbonyl]phenyl] acetate.
Chemical Property Profile of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester
Property Insights of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester
The XLogP value of 4.2134 indicates that Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester has 2 hydrogen bond donor(s) and 9 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 Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester?
The CAS number of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester is 86910-93-2.
What is the molecular formula of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester?
The molecular formula of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester is C19H16N4O4S3.
What is the molecular weight of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester?
The molecular weight of Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester is 460.03 g/mol.
Where can I buy Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester?
You can request a quote for Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 2-(acetyloxy)-, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,1,3,4-thiadiazol-2-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.