Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester
TL;DR: Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester (CAS 86910-90-9) is a chemical compound with molecular formula C14H16N4OS3 and molecular weight 352.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-[(4-methylphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate
Also Known As: Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester, S-(5-{[(4-Methylphenyl)carbamothioyl]amino}-1,3,4-thiadiazol-2-yl) butanethioate, S-[5-[(4-methylphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate, RefChem:330648
| Molecular Formula | C14H16N4OS3 |
|---|---|
| Molecular Weight | 352.05 g/mol |
| LogP | 4.07422 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0486 |
| Heavy Atoms | 22 |
| Complexity | 654.3625 |
Chemical Identifiers
| CAS Number | 86910-90-9 |
|---|---|
| SMILES | CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=C(C=C2)C |
Product Overview
Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester (CAS 86910-90-9), with molecular formula C14H16N4OS3 and molecular weight 352.05 g/mol. IUPAC: S-[5-[(4-methylphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate.
Chemical Property Profile of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester
Property Insights of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester
The XLogP value of 4.07422 indicates that Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester. Following Lipinski's Rule of Five, Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester has 2 hydrogen bond donor(s) and 6 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 Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester?
The CAS number of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester is 86910-90-9.
What is the molecular formula of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester?
The molecular formula of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester is C14H16N4OS3.
What is the molecular weight of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester?
The molecular weight of Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester is 352.05 g/mol.
Where can I buy Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester?
You can request a quote for Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-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 Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanethioic acid, S-(5-((((4-methylphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.