RefChem:330646
TL;DR: RefChem:330646 (CAS 86911-00-4) is a chemical compound with molecular formula C13H13ClN4OS3 and molecular weight 371.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[5-[(4-chlorophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate
Also Known As: Butanethioic acid, S-(5-((((4-chlorophenyl)amino)thioxomethyl)amino)-1,3,4-thiadiazol-2-yl)ester, BUTANETHIOIC ACID, S-(5-((((4-CHLOROPHENYL)AMINO)THIOXOMETHYL)AMINO)-1,3,4-THIAD, S-(5-{[(4-Chlorophenyl)carbamothioyl]amino}-1,3,4-thiadiazol-2-yl) butanethioate, S-[5-[(4-chlorophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate, RefChem:330646
| Molecular Formula | C13H13ClN4OS3 |
|---|---|
| Molecular Weight | 371.99 g/mol |
| LogP | 4.4192 |
| Topological Polar Surface Area | 66.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.994 |
| Heavy Atoms | 22 |
| Complexity | 659.55975 |
Chemical Identifiers
| CAS Number | 86911-00-4 |
|---|---|
| SMILES | CCCC(=O)SC1=NN=C(S1)NC(=S)NC2=CC=C(C=C2)Cl |
Product Overview
RefChem:330646 (CAS 86911-00-4), with molecular formula C13H13ClN4OS3 and molecular weight 371.99 g/mol. IUPAC: S-[5-[(4-chlorophenyl)carbamothioylamino]-1,3,4-thiadiazol-2-yl] butanethioate.
Chemical Property Profile of RefChem:330646
Property Insights of RefChem:330646
The XLogP value of 4.4192 indicates that RefChem:330646 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 RefChem:330646. Following Lipinski's Rule of Five, RefChem:330646 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 RefChem:330646?
The CAS number of RefChem:330646 is 86911-00-4.
What is the molecular formula of RefChem:330646?
The molecular formula of RefChem:330646 is C13H13ClN4OS3.
What is the molecular weight of RefChem:330646?
The molecular weight of RefChem:330646 is 371.99 g/mol.
Where can I buy RefChem:330646?
You can request a quote for RefChem:330646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:330646?
Yes, KEHONG BIO provides custom synthesis services for RefChem:330646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.