RefChem:330644
TL;DR: RefChem:330644 (CAS 86910-92-1) is a chemical compound with molecular formula C14H16N4O2S3 and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate
Also Known As: Butanethioic acid, S-(5-((((2-methoxyphenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester, BUTANETHIOIC ACID, S-(5-((((2-METHOXYPHENYL)AMINO)THIOXOMETHYL)AMINO)-1,3,4-THIA, S-(5-{[(2-Methoxyphenyl)carbamothioyl]amino}-1,3,4-thiadiazol-2-yl) butanethioate, S-[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate, RefChem:330644
| Molecular Formula | C14H16N4O2S3 |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.7744 |
| Topological Polar Surface Area | 76.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.04355 |
| Heavy Atoms | 23 |
| Complexity | 690.1668 |
Chemical Identifiers
| CAS Number | 86910-92-1 |
|---|---|
| SMILES | CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=CC=C2OC |
Product Overview
RefChem:330644 (CAS 86910-92-1), with molecular formula C14H16N4O2S3 and molecular weight 368.04 g/mol. IUPAC: S-[5-[(2-methoxyphenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate.
Chemical Property Profile of RefChem:330644
Property Insights of RefChem:330644
The XLogP value of 3.7744 indicates that RefChem:330644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:330644. Following Lipinski's Rule of Five, RefChem:330644 has 2 hydrogen bond donor(s) and 7 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 RefChem:330644?
The CAS number of RefChem:330644 is 86910-92-1.
What is the molecular formula of RefChem:330644?
The molecular formula of RefChem:330644 is C14H16N4O2S3.
What is the molecular weight of RefChem:330644?
The molecular weight of RefChem:330644 is 368.04 g/mol.
Where can I buy RefChem:330644?
You can request a quote for RefChem:330644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.