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N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide
TL;DR: N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide (CAS 706765-37-9) is a chemical compound with molecular formula C13H18ClN3O2S2 and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide
Also Known As: N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide, N-(4-chlorobenzyl)-4-(methylsulfonyl)-1-piperazinecarbothioamide, N-(4-chlorobenzyl)-4-(methylsulfonyl)piperazine-1-carbothioamide, 4-({[(4-chlorophenyl)methyl]amino}thioxomethyl)-1-(methylsulfonyl)piperazine
| Molecular Formula | C13H18ClN3O2S2 |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 1.2917 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0529 |
| Heavy Atoms | 21 |
| Complexity | 596.3473 |
Chemical Identifiers
| CAS Number | 706765-37-9 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl |
Product Overview
N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide (CAS 706765-37-9), with molecular formula C13H18ClN3O2S2 and molecular weight 347.05 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide
Property Insights of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide
The XLogP value of 1.2917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide. With a topological polar surface area (TPSA) of 52.65 Ų, N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide has 1 hydrogen bond donor(s) and 3 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 N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide?
The CAS number of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide is 706765-37-9.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide is C13H18ClN3O2S2.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide is 347.05 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.