4-butyl-3H-1,3-thiazole-2-thione
TL;DR: 4-butyl-3H-1,3-thiazole-2-thione (CAS 5243-69-6) is a chemical compound with molecular formula C7H11NS2 and molecular weight 173.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-3H-1,3-thiazole-2-thione
Also Known As: 4-butyl-3H-1,3-thiazole-2-thione, 4-Butyl-1,3-thiazole-2(3H)-thione
| Molecular Formula | C7H11NS2 |
|---|---|
| Molecular Weight | 173.03 g/mol |
| LogP | 3.14829 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.0333 |
| Heavy Atoms | 10 |
| Complexity | 235.75418 |
Chemical Identifiers
| CAS Number | 5243-69-6 |
|---|---|
| SMILES | CCCCC1=CSC(=S)N1 |
Product Overview
4-butyl-3H-1,3-thiazole-2-thione (CAS 5243-69-6), with molecular formula C7H11NS2 and molecular weight 173.03 g/mol. IUPAC: 4-butyl-3H-1,3-thiazole-2-thione.
Chemical Property Profile of 4-butyl-3H-1,3-thiazole-2-thione
Property Insights of 4-butyl-3H-1,3-thiazole-2-thione
The XLogP value of 3.14829 indicates that 4-butyl-3H-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 15.79 Ų, 4-butyl-3H-1,3-thiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-3H-1,3-thiazole-2-thione 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 4-butyl-3H-1,3-thiazole-2-thione?
The CAS number of 4-butyl-3H-1,3-thiazole-2-thione is 5243-69-6.
What is the molecular formula of 4-butyl-3H-1,3-thiazole-2-thione?
The molecular formula of 4-butyl-3H-1,3-thiazole-2-thione is C7H11NS2.
What is the molecular weight of 4-butyl-3H-1,3-thiazole-2-thione?
The molecular weight of 4-butyl-3H-1,3-thiazole-2-thione is 173.03 g/mol.
Where can I buy 4-butyl-3H-1,3-thiazole-2-thione?
You can request a quote for 4-butyl-3H-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 4-butyl-3H-1,3-thiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-3H-1,3-thiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.