C16H13ClN6S
TL;DR: C16H13ClN6S (CAS 152562-59-9) is a chemical compound with molecular formula C16H13ClN6S and molecular weight 356.0611 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
Also Known As: 3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-5-(2-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-(((1H-benzo[d]imidazol-2-yl)methyl)thio)-5-(2-chlorophenyl)-4H-1,2,4-triazol-4-amine, 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-(2-chlorophenyl)-1,2,4-triazol-4-amine, 3-(1H-benzoimidazol-2-ylmethylsulfanyl)-5-(2-chlorophenyl)-1,2,4-triazol-4-amine, 3-[[(1H-Benzimidazol-2-yl)methyl]thio]-5-(2-chlorophenyl)-4H-1,2,4-triazol-4-amine
Technical Specifications
| Molecular Formula | C16H13ClN6S |
| Molecular Weight | 356.0611 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.0611 Da |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3)Cl |
| InChIKey | CQTOCJCWDUWRKU-UHFFFAOYSA-N |
Chemical Property Profile of C16H13ClN6S
Property Insights of C16H13ClN6S
The XLogP value of 3.4 indicates that C16H13ClN6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C16H13ClN6S. Following Lipinski's Rule of Five, C16H13ClN6S has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C16H13ClN6S?
The CAS number of C16H13ClN6S is 152562-59-9.
What is the molecular formula of C16H13ClN6S?
The molecular formula of C16H13ClN6S is C16H13ClN6S.
What is the molecular weight of C16H13ClN6S?
The molecular weight of C16H13ClN6S is 356.0611 g/mol.
Where can I buy C16H13ClN6S?
You can request a quote for C16H13ClN6S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C16H13ClN6S?
Yes, CoreyChem provides custom synthesis services for C16H13ClN6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.