3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione
TL;DR: 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione (CAS 191349-41-4) is a chemical compound with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione
Also Known As: 1-(4-chloroanilino)-4-methyl-5-phenylimidazole-2-thiol, 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione, 1-(4-chloroanilino)-4-methyl-5-phenyl-imidazole-2-thiol, 1-[(4-Chlorophenyl)amino]-4-methyl-5-phenyl-1H-imidazole-2-thiol, 2H-IMIDAZOLE-2-THIONE, 1-[(4-CHLOROPHENYL)AMINO]-1,3-DIHYDRO-4-METHYL-5-PHENYL-
| Molecular Formula | C16H14ClN3S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 5.04971 |
| Topological Polar Surface Area | 32.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.0597 |
| Heavy Atoms | 21 |
| Complexity | 803.7885 |
Chemical Identifiers
| CAS Number | 191349-41-4 |
|---|---|
| SMILES | CC1=C(N(C(=S)N1)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione (CAS 191349-41-4), with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol. IUPAC: 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione.
Chemical Property Profile of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione
Property Insights of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione
The XLogP value of 5.04971 indicates that 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.75 Ų, 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione?
The CAS number of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione is 191349-41-4.
What is the molecular formula of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione?
The molecular formula of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione is C16H14ClN3S.
What is the molecular weight of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione?
The molecular weight of 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione is 315.06 g/mol.
Where can I buy 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione?
You can request a quote for 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloroanilino)-5-methyl-4-phenyl-1H-imidazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.