(Methylamino)(4-phenylpiperazinyl)methane-1-thione
TL;DR: (Methylamino)(4-phenylpiperazinyl)methane-1-thione (CAS 433313-85-0) is a chemical compound with molecular formula C12H17N3S and molecular weight 235.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-4-phenylpiperazine-1-carbothioamide
Also Known As: (methylamino)(4-phenylpiperazinyl)methane-1-thione, N-methyl-4-phenylpiperazine-1-carbothioamide, BAS 04887352, Cycloheptanol,2-fluoro-,acetate,(1R,2R), 4-Phenyl-piperazine-1-carbothioic acid methylamide
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 1.3129 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 344.54132 |
Chemical Identifiers
| CAS Number | 433313-85-0 |
|---|---|
| SMILES | CNC(=S)N1CCN(CC1)C2=CC=CC=C2 |
Product Overview
(Methylamino)(4-phenylpiperazinyl)methane-1-thione (CAS 433313-85-0), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: N-methyl-4-phenylpiperazine-1-carbothioamide.
Chemical Property Profile of (Methylamino)(4-phenylpiperazinyl)methane-1-thione
Property Insights of (Methylamino)(4-phenylpiperazinyl)methane-1-thione
The XLogP value of 1.3129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Methylamino)(4-phenylpiperazinyl)methane-1-thione. With a topological polar surface area (TPSA) of 18.51 Ų, (Methylamino)(4-phenylpiperazinyl)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Methylamino)(4-phenylpiperazinyl)methane-1-thione has 1 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 (Methylamino)(4-phenylpiperazinyl)methane-1-thione?
The CAS number of (Methylamino)(4-phenylpiperazinyl)methane-1-thione is 433313-85-0.
What is the molecular formula of (Methylamino)(4-phenylpiperazinyl)methane-1-thione?
The molecular formula of (Methylamino)(4-phenylpiperazinyl)methane-1-thione is C12H17N3S.
What is the molecular weight of (Methylamino)(4-phenylpiperazinyl)methane-1-thione?
The molecular weight of (Methylamino)(4-phenylpiperazinyl)methane-1-thione is 235.11 g/mol.
Where can I buy (Methylamino)(4-phenylpiperazinyl)methane-1-thione?
You can request a quote for (Methylamino)(4-phenylpiperazinyl)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Methylamino)(4-phenylpiperazinyl)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (Methylamino)(4-phenylpiperazinyl)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.