N-benzylpyrrolidine-1-carbothioamide
TL;DR: N-benzylpyrrolidine-1-carbothioamide (CAS 305791-49-5) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzylpyrrolidine-1-carbothioamide
Also Known As: N-benzylpyrrolidine-1-carbothioamide, starbld0036995, Pyrrolidine-1-carbothioic acid benzylamide, Pyrrolidine-1-carbothioicacidbenzylamide95%, J1.445.749F
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 2.1569 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 317.6538 |
Chemical Identifiers
| CAS Number | 305791-49-5 |
|---|---|
| SMILES | C1CCN(C1)C(=S)NCC2=CC=CC=C2 |
Product Overview
N-benzylpyrrolidine-1-carbothioamide (CAS 305791-49-5), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: N-benzylpyrrolidine-1-carbothioamide.
Chemical Property Profile of N-benzylpyrrolidine-1-carbothioamide
Property Insights of N-benzylpyrrolidine-1-carbothioamide
The XLogP value of 2.1569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzylpyrrolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-benzylpyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzylpyrrolidine-1-carbothioamide 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-benzylpyrrolidine-1-carbothioamide?
The CAS number of N-benzylpyrrolidine-1-carbothioamide is 305791-49-5.
What is the molecular formula of N-benzylpyrrolidine-1-carbothioamide?
The molecular formula of N-benzylpyrrolidine-1-carbothioamide is C12H16N2S.
What is the molecular weight of N-benzylpyrrolidine-1-carbothioamide?
The molecular weight of N-benzylpyrrolidine-1-carbothioamide is 220.10 g/mol.
Where can I buy N-benzylpyrrolidine-1-carbothioamide?
You can request a quote for N-benzylpyrrolidine-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-benzylpyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzylpyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.