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[4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione
TL;DR: [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione (CAS 327074-66-8) is a chemical compound with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-chlorophenyl)piperazin-1-yl]-phenylmethanethione
Also Known As: NCIOpen2_009190, BIM-0005278.P001, [4-(3-chlorophenyl)piperazinyl]phenylmethane-1-thione, [4-(3-chlorophenyl)piperazin-1-yl]-phenylmethanethione, (4-(3-chlorophenyl)piperazin-1-yl)(phenyl)methanethione
| Molecular Formula | C17H17ClN2S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.0801 |
| Heavy Atoms | 21 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 327074-66-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC=CC=C3 |
| InChIKey | ULMJXEJXMJCLDS-UHFFFAOYSA-N |
Product Overview
[4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione (CAS 327074-66-8), with molecular formula C17H17ClN2S and molecular weight 316.08 g/mol. IUPAC: [4-(3-chlorophenyl)piperazin-1-yl]-phenylmethanethione.
Chemical Property Profile of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione
Property Insights of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione
The XLogP value of 4.2 indicates that [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione 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-Chlorophenyl)piperazinyl]phenylmethane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione 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-Chlorophenyl)piperazinyl]phenylmethane-1-thione?
The CAS number of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione is 327074-66-8.
What is the molecular formula of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione?
The molecular formula of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione is C17H17ClN2S.
What is the molecular weight of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione?
The molecular weight of [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione is 316.08 g/mol.
Where can I buy [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione?
You can request a quote for [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for [4-(3-Chlorophenyl)piperazinyl]phenylmethane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.