3-Pyrazolidinethione, 1-(phenylmethyl)-
TL;DR: 3-Pyrazolidinethione, 1-(phenylmethyl)- (CAS 166879-79-4) is a chemical compound with molecular formula C10H12N2S and molecular weight 192.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyrazolidine-3-thione
Also Known As: 1-benzylpyrazolidine-3-thione, 1-benzyl-3-thioxopyrazolidin, 3-Pyrazolidinethione, 1-(phenylmethyl)-, RefChem:281969
| Molecular Formula | C10H12N2S |
|---|---|
| Molecular Weight | 192.07 g/mol |
| LogP | 1.7243 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 192.07211 |
| Heavy Atoms | 13 |
| Complexity | 297.0529 |
Chemical Identifiers
| CAS Number | 166879-79-4 |
|---|---|
| SMILES | C1CN(NC1=S)CC2=CC=CC=C2 |
Product Overview
3-Pyrazolidinethione, 1-(phenylmethyl)- (CAS 166879-79-4), with molecular formula C10H12N2S and molecular weight 192.07 g/mol. IUPAC: 1-benzylpyrazolidine-3-thione.
Chemical Property Profile of 3-Pyrazolidinethione, 1-(phenylmethyl)-
Property Insights of 3-Pyrazolidinethione, 1-(phenylmethyl)-
The XLogP value of 1.7243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazolidinethione, 1-(phenylmethyl)-. With a topological polar surface area (TPSA) of 15.27 Ų, 3-Pyrazolidinethione, 1-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazolidinethione, 1-(phenylmethyl)- has 1 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 3-Pyrazolidinethione, 1-(phenylmethyl)-?
The CAS number of 3-Pyrazolidinethione, 1-(phenylmethyl)- is 166879-79-4.
What is the molecular formula of 3-Pyrazolidinethione, 1-(phenylmethyl)-?
The molecular formula of 3-Pyrazolidinethione, 1-(phenylmethyl)- is C10H12N2S.
What is the molecular weight of 3-Pyrazolidinethione, 1-(phenylmethyl)-?
The molecular weight of 3-Pyrazolidinethione, 1-(phenylmethyl)- is 192.07 g/mol.
Where can I buy 3-Pyrazolidinethione, 1-(phenylmethyl)-?
You can request a quote for 3-Pyrazolidinethione, 1-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazolidinethione, 1-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazolidinethione, 1-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.