C14H14ClN3O4S2
TL;DR: C14H14ClN3O4S2 (CAS 39119-65-8) is a chemical compound with molecular formula C14H14ClN3O4S2 and molecular weight 387.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate
Also Known As: 2-(benzylthio)-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate, 2-(benzylthio)-5,7-dimethyl[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate, 2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate, 2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium;perchlorate, C14H14ClN3O4S2
| Molecular Formula | C14H14ClN3O4S2 |
|---|---|
| Molecular Weight | 387.01 g/mol |
| LogP | -1.57006 |
| Topological Polar Surface Area | 122.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.0114 |
| Heavy Atoms | 24 |
| Complexity | 802.87994 |
Chemical Identifiers
| CAS Number | 39119-65-8 |
|---|---|
| SMILES | CC1=CC(=[N+]2C(=N1)SC(=N2)SCC3=CC=CC=C3)C.[O-]Cl(=O)(=O)=O |
Product Overview
C14H14ClN3O4S2 (CAS 39119-65-8), with molecular formula C14H14ClN3O4S2 and molecular weight 387.01 g/mol. IUPAC: 2-benzylsulfanyl-5,7-dimethyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium perchlorate.
Chemical Property Profile of C14H14ClN3O4S2
Property Insights of C14H14ClN3O4S2
The XLogP value of -1.57006 indicates that C14H14ClN3O4S2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.12 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H14ClN3O4S2. Following Lipinski's Rule of Five, C14H14ClN3O4S2 has 0 hydrogen bond donor(s) and 8 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 C14H14ClN3O4S2?
The CAS number of C14H14ClN3O4S2 is 39119-65-8.
What is the molecular formula of C14H14ClN3O4S2?
The molecular formula of C14H14ClN3O4S2 is C14H14ClN3O4S2.
What is the molecular weight of C14H14ClN3O4S2?
The molecular weight of C14H14ClN3O4S2 is 387.01 g/mol.
Where can I buy C14H14ClN3O4S2?
You can request a quote for C14H14ClN3O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H14ClN3O4S2?
Yes, KEHONG BIO provides custom synthesis services for C14H14ClN3O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.