1-Anilinomethyl-2(3H)-benzimidazolethione
TL;DR: 1-Anilinomethyl-2(3H)-benzimidazolethione (CAS 63771-06-2) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(anilinomethyl)-1H-benzimidazole-2-thione
Also Known As: 1-anilinomethyl-2(3h)-benzimidazolethione, 3-(anilinomethyl)-1H-benzimidazole-2-thione, 3-(anilinomethyl)-1H-benzoimidazole-2-thione, 1-((Phenylamino)methyl)-1H-benzo[d]imidazole-2(3H)-thione, 1-[(Phenylamino)methyl]-1H-benzimidazole-2-thiol
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.76849 |
| Topological Polar Surface Area | 32.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 712.48724 |
Chemical Identifiers
| CAS Number | 63771-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCN2C3=CC=CC=C3NC2=S |
Product Overview
1-Anilinomethyl-2(3H)-benzimidazolethione (CAS 63771-06-2), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 3-(anilinomethyl)-1H-benzimidazole-2-thione.
Chemical Property Profile of 1-Anilinomethyl-2(3H)-benzimidazolethione
Property Insights of 1-Anilinomethyl-2(3H)-benzimidazolethione
The XLogP value of 3.76849 indicates that 1-Anilinomethyl-2(3H)-benzimidazolethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.75 Ų, 1-Anilinomethyl-2(3H)-benzimidazolethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Anilinomethyl-2(3H)-benzimidazolethione has 2 hydrogen bond donor(s) and 2 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 1-Anilinomethyl-2(3H)-benzimidazolethione?
The CAS number of 1-Anilinomethyl-2(3H)-benzimidazolethione is 63771-06-2.
What is the molecular formula of 1-Anilinomethyl-2(3H)-benzimidazolethione?
The molecular formula of 1-Anilinomethyl-2(3H)-benzimidazolethione is C14H13N3S.
What is the molecular weight of 1-Anilinomethyl-2(3H)-benzimidazolethione?
The molecular weight of 1-Anilinomethyl-2(3H)-benzimidazolethione is 255.08 g/mol.
Where can I buy 1-Anilinomethyl-2(3H)-benzimidazolethione?
You can request a quote for 1-Anilinomethyl-2(3H)-benzimidazolethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Anilinomethyl-2(3H)-benzimidazolethione?
Yes, KEHONG BIO provides custom synthesis services for 1-Anilinomethyl-2(3H)-benzimidazolethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.