1-Phenyl-3-piperidin-1-ylthiourea
TL;DR: 1-Phenyl-3-piperidin-1-ylthiourea (CAS 5446-55-9) 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.
1-phenyl-3-piperidin-1-ylthiourea
Also Known As: 1-phenyl-3-piperidin-1-ylthiourea, N-Phenyl-N'-1-piperidinylthiourea, 1-Phenyl-3-piperidinothiourea, Urea, 1-phenyl-3-piperidino-2-thio-, Thiourea, N-phenyl-N'-1-piperidinyl-
| Molecular Formula | C12H17N3S |
|---|---|
| Molecular Weight | 235.11 g/mol |
| LogP | 2.3739 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.11432 |
| Heavy Atoms | 16 |
| Complexity | 333.37692 |
Chemical Identifiers
| CAS Number | 5446-55-9 |
|---|---|
| SMILES | C1CCN(CC1)NC(=S)NC2=CC=CC=C2 |
Product Overview
1-Phenyl-3-piperidin-1-ylthiourea (CAS 5446-55-9), with molecular formula C12H17N3S and molecular weight 235.11 g/mol. IUPAC: 1-phenyl-3-piperidin-1-ylthiourea.
Chemical Property Profile of 1-Phenyl-3-piperidin-1-ylthiourea
Property Insights of 1-Phenyl-3-piperidin-1-ylthiourea
The XLogP value of 2.3739 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-piperidin-1-ylthiourea. With a topological polar surface area (TPSA) of 27.3 Ų, 1-Phenyl-3-piperidin-1-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-piperidin-1-ylthiourea has 2 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 1-Phenyl-3-piperidin-1-ylthiourea?
The CAS number of 1-Phenyl-3-piperidin-1-ylthiourea is 5446-55-9.
What is the molecular formula of 1-Phenyl-3-piperidin-1-ylthiourea?
The molecular formula of 1-Phenyl-3-piperidin-1-ylthiourea is C12H17N3S.
What is the molecular weight of 1-Phenyl-3-piperidin-1-ylthiourea?
The molecular weight of 1-Phenyl-3-piperidin-1-ylthiourea is 235.11 g/mol.
Where can I buy 1-Phenyl-3-piperidin-1-ylthiourea?
You can request a quote for 1-Phenyl-3-piperidin-1-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-piperidin-1-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-piperidin-1-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.