methanethione structure](/static/products/1165/116594-97-9.webp)
[4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione
TL;DR: [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione (CAS 116594-97-9) is a chemical compound with molecular formula C18H20N2S and molecular weight 296.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-methylphenyl)piperazin-1-yl]-phenylmethanethione
Also Known As: [4-(3-methylphenyl)piperazin-1-yl](phenyl)methanethione, 1-benzothioyl-4-(3-methylphenyl)piperazine, phenyl(4-(m-tolyl)piperazin-1-yl)methanethione, [4-(3-methylphenyl)piperazin-1-yl]-phenylmethanethione, [4-(3-methylphenyl)piperazinyl]phenylmethane-1-thione
| Molecular Formula | C18H20N2S |
|---|---|
| Molecular Weight | 296.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1347 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 116594-97-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=CC=C3 |
| InChIKey | JQDKKJWNOBMRPK-UHFFFAOYSA-N |
Product Overview
[4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione (CAS 116594-97-9), with molecular formula C18H20N2S and molecular weight 296.13 g/mol. IUPAC: [4-(3-methylphenyl)piperazin-1-yl]-phenylmethanethione.
Chemical Property Profile of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione
Property Insights of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione
The XLogP value of 3.9 indicates that [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.6 Ų, [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione has 0 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 [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione?
The CAS number of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione is 116594-97-9.
What is the molecular formula of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione?
The molecular formula of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione is C18H20N2S.
What is the molecular weight of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione?
The molecular weight of [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione is 296.13 g/mol.
Where can I buy [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione?
You can request a quote for [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione?
Yes, KEHONG BIO provides custom synthesis services for [4-(3-Methylphenyl)piperazin-1-yl](phenyl)methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.