1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol
TL;DR: 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol (CAS 100440-60-6) is a chemical compound with molecular formula C14H11ClN2S and molecular weight 274.03314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-6-chloro-1H-benzimidazole-2-thione
Also Known As: 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol, 3-benzyl-6-chloro-1H-benzimidazole-2-thione, 1-Benzyl-5-chloro-1H-benzoimidazole-2-thiol, 1-benzyl-5-chloro-1H-benzimidazole-2-thiol, 5-chloro-1-benzylbenzimidazole-2-thiol
Technical Specifications
| Molecular Formula | C14H11ClN2S |
| Molecular Weight | 274.03314 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.03314 Da |
| Heavy Atoms | 18 |
| Complexity | 317.0 |
| SMILES | C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)NC2=S |
| InChIKey | OUPMSORROMFUIY-UHFFFAOYSA-N |
Chemical Property Profile of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol
Property Insights of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol
The XLogP value of 3.5 indicates that 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.4 Ų, 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol?
The CAS number of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol is 100440-60-6.
What is the molecular formula of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol?
The molecular formula of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol is C14H11ClN2S.
What is the molecular weight of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol?
The molecular weight of 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol is 274.03314 g/mol.
Where can I buy 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol?
You can request a quote for 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.