3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione
TL;DR: 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione (CAS 85127-60-2) is a chemical compound with molecular formula C11H13NOS2 and molecular weight 239.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione
Also Known As: 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione, 4-(hydroxymethyl)-3-(phenylmethyl)-2-thiazolidinethione, 2-Thiazolidinethione, 4-(hydroxymethyl)-3-(phenylmethyl)-, RefChem:357351
| Molecular Formula | C11H13NOS2 |
|---|---|
| Molecular Weight | 239.04 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.04385 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 85127-60-2 |
|---|---|
| SMILES | C1C(N(C(=S)S1)CC2=CC=CC=C2)CO |
| InChIKey | FGEWQTYHMHPKOG-UHFFFAOYSA-N |
Product Overview
3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione (CAS 85127-60-2), with molecular formula C11H13NOS2 and molecular weight 239.04 g/mol. IUPAC: 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione.
Chemical Property Profile of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione
Property Insights of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione. Following Lipinski's Rule of Five, 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione has 1 hydrogen bond donor(s) and 3 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-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The CAS number of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione is 85127-60-2.
What is the molecular formula of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The molecular formula of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione is C11H13NOS2.
What is the molecular weight of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione?
The molecular weight of 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione is 239.04 g/mol.
Where can I buy 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione?
You can request a quote for 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-4-(hydroxymethyl)-1,3-thiazolidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.