N-Allylpyrrolidine-1-carbothioamide
TL;DR: N-Allylpyrrolidine-1-carbothioamide (CAS 64574-86-3) is a chemical compound with molecular formula C8H14N2S and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylpyrrolidine-1-carbothioamide
Also Known As: N-Allylpyrrolidine-1-carbothioamide, BAS 00038580, Pyrrolidine-1-carbothioic acid allylamide, N-prop-2-enylpyrrolidine-1-carbothioamide, J1.445.750J
| Molecular Formula | C8H14N2S |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.1427 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.08777 |
| Heavy Atoms | 11 |
| Complexity | 150.17105 |
Chemical Identifiers
| CAS Number | 64574-86-3 |
|---|---|
| SMILES | C=CCNC(=S)N1CCCC1 |
Product Overview
N-Allylpyrrolidine-1-carbothioamide (CAS 64574-86-3), with molecular formula C8H14N2S and molecular weight 170.09 g/mol. IUPAC: N-prop-2-enylpyrrolidine-1-carbothioamide.
Chemical Property Profile of N-Allylpyrrolidine-1-carbothioamide
Property Insights of N-Allylpyrrolidine-1-carbothioamide
The XLogP value of 1.1427 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allylpyrrolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 15.27 Ų, N-Allylpyrrolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allylpyrrolidine-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-Allylpyrrolidine-1-carbothioamide?
The CAS number of N-Allylpyrrolidine-1-carbothioamide is 64574-86-3.
What is the molecular formula of N-Allylpyrrolidine-1-carbothioamide?
The molecular formula of N-Allylpyrrolidine-1-carbothioamide is C8H14N2S.
What is the molecular weight of N-Allylpyrrolidine-1-carbothioamide?
The molecular weight of N-Allylpyrrolidine-1-carbothioamide is 170.09 g/mol.
Where can I buy N-Allylpyrrolidine-1-carbothioamide?
You can request a quote for N-Allylpyrrolidine-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-Allylpyrrolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-Allylpyrrolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.