3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione
TL;DR: 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione (CAS 866153-90-4) is a chemical compound with molecular formula C14H14F2N2S2 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione
Also Known As: 3-(2,6-difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione, 3-(2,6-difluorophenyl)-4-(1-pyrrolidinylmethyl)-1,3-thiazole-2(3H)-thione, 3-(2,6-difluorophenyl)-4-[(pyrrolidin-1-yl)methyl]-2,3-dihydro-1,3-thiazole-2-thione, 3-(2,6-difluorophenyl)-4-(1-pyrrolidinylmethyl)-2-thiazolethione, 3-(2,6-difluorophenyl)-4-(pyrrolidinomethyl)-4-thiazoline-2-thione
| Molecular Formula | C14H14F2N2S2 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 4.14229 |
| Topological Polar Surface Area | 8.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.05664 |
| Heavy Atoms | 20 |
| Complexity | 651.8037 |
Chemical Identifiers
| CAS Number | 866153-90-4 |
|---|---|
| SMILES | C1CCN(C1)CC2=CSC(=S)N2C3=C(C=CC=C3F)F |
Product Overview
3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione (CAS 866153-90-4), with molecular formula C14H14F2N2S2 and molecular weight 312.06 g/mol. IUPAC: 3-(2,6-difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione.
Chemical Property Profile of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione
Property Insights of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione
The XLogP value of 4.14229 indicates that 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.17 Ų, 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione has 0 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-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione?
The CAS number of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione is 866153-90-4.
What is the molecular formula of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione?
The molecular formula of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione is C14H14F2N2S2.
What is the molecular weight of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione?
The molecular weight of 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione is 312.06 g/mol.
Where can I buy 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione?
You can request a quote for 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-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-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,6-Difluorophenyl)-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.