N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide
TL;DR: N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide (CAS 404849-41-8) is a chemical compound with molecular formula C12H14Cl2N2S and molecular weight 288.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)piperidine-1-carbothioamide
Also Known As: N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide, N-(3,4-dichlorophenyl)piperidine-1-carbothioamide, piperidine-1-carbothioic acid (3,4-dichlorophenyl)amide
| Molecular Formula | C12H14Cl2N2S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 4.1761 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.02548 |
| Heavy Atoms | 17 |
| Complexity | 416.9667 |
Chemical Identifiers
| CAS Number | 404849-41-8 |
|---|---|
| SMILES | C1CCN(CC1)C(=S)NC2=CC(=C(C=C2)Cl)Cl |
Product Overview
N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide (CAS 404849-41-8), with molecular formula C12H14Cl2N2S and molecular weight 288.03 g/mol. IUPAC: N-(3,4-dichlorophenyl)piperidine-1-carbothioamide.
Chemical Property Profile of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide
Property Insights of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide
The XLogP value of 4.1761 indicates that N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.27 Ų, N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide has 1 hydrogen bond donor(s) and 1 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-(3,4-dichlorophenyl)-1-piperidinecarbothioamide?
The CAS number of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide is 404849-41-8.
What is the molecular formula of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide?
The molecular formula of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide is C12H14Cl2N2S.
What is the molecular weight of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide?
The molecular weight of N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide is 288.03 g/mol.
Where can I buy N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide?
You can request a quote for N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorophenyl)-1-piperidinecarbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.