C18H14ClN5OS
TL;DR: C18H14ClN5OS (CAS 1119491-81-4) is a chemical compound with molecular formula C18H14ClN5OS and molecular weight 383.06076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(5-chloro-2-methoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(5-chloro-2-methoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-(5-chloro-2-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(5-chloro-2-methoxyphenyl)-5-(3-phenyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(5-CHLORO-2-METHOXYPHENYL)-5-(3-PHENYL-1H-PYRAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Technical Specifications
| Molecular Formula | C18H14ClN5OS |
| Molecular Weight | 383.06076 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 97.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.06076 Da |
| Heavy Atoms | 26 |
| Complexity | 556.0 |
| SMILES | COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)C3=CC(=NN3)C4=CC=CC=C4 |
| InChIKey | NOFPXCGSPPULNF-UHFFFAOYSA-N |
Chemical Property Profile of C18H14ClN5OS
Property Insights of C18H14ClN5OS
The XLogP value of 4.1 indicates that C18H14ClN5OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.6 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14ClN5OS. Following Lipinski's Rule of Five, C18H14ClN5OS has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H14ClN5OS?
The CAS number of C18H14ClN5OS is 1119491-81-4.
What is the molecular formula of C18H14ClN5OS?
The molecular formula of C18H14ClN5OS is C18H14ClN5OS.
What is the molecular weight of C18H14ClN5OS?
The molecular weight of C18H14ClN5OS is 383.06076 g/mol.
Where can I buy C18H14ClN5OS?
You can request a quote for C18H14ClN5OS directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H14ClN5OS?
Yes, CoreyChem provides custom synthesis services for C18H14ClN5OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.