2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine
TL;DR: 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine (CAS 151693-53-7) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzylsulfanylbenzimidazol-1-amine
Also Known As: 2-benzylsulfanylbenzimidazol-1-amine, 2-[(Phenylmethyl)thio]-1H-benzimidazol-1-amine, 2-(benzylsulfanyl)-1H-benzimidazol-1-amine, 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine
Technical Specifications
| Molecular Formula | C14H13N3S |
| Molecular Weight | 255.08302 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08302 Da |
| Heavy Atoms | 18 |
| Complexity | 268.0 |
| SMILES | C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N2N |
| InChIKey | KXBZSMVDOKIKKL-UHFFFAOYSA-N |
Chemical Property Profile of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine
Property Insights of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine
The XLogP value of 3.5 indicates that 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine. Following Lipinski's Rule of Five, 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine?
The CAS number of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine is 151693-53-7.
What is the molecular formula of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine?
The molecular formula of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine is C14H13N3S.
What is the molecular weight of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine?
The molecular weight of 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine is 255.08302 g/mol.
Where can I buy 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine?
You can request a quote for 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine?
Yes, CoreyChem provides custom synthesis services for 2-((Phenylmethyl)thio)-1H-benzimidazol-1-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.