(4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
TL;DR: (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione (CAS 706777-91-5) is a chemical compound with molecular formula C25H26N2S2 and molecular weight 418.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
Also Known As: (4-benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione, [4-(diphenylmethyl)piperazin-1-yl][4-(methylsulfanyl)phenyl]methanethione, 1-(diphenylmethyl)-4-{[4-(methylthio)phenyl]carbonothioyl}piperazine
| Molecular Formula | C25H26N2S2 |
|---|---|
| Molecular Weight | 418.15 g/mol |
| LogP | 5.4912 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.15375 |
| Heavy Atoms | 29 |
| Complexity | 878.55676 |
Chemical Identifiers
| CAS Number | 706777-91-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=S)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione (CAS 706777-91-5), with molecular formula C25H26N2S2 and molecular weight 418.15 g/mol. IUPAC: (4-benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione.
Chemical Property Profile of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
Property Insights of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione
The XLogP value of 5.4912 indicates that (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione?
The CAS number of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione is 706777-91-5.
What is the molecular formula of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione?
The molecular formula of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione is C25H26N2S2.
What is the molecular weight of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione?
The molecular weight of (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione is 418.15 g/mol.
Where can I buy (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione?
You can request a quote for (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzhydrylpiperazin-1-yl)-(4-methylsulfanylphenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.