![5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol structure](/static/products/879/879617-91-1.png)
5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
TL;DR: 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol (CAS 879617-91-1) is a chemical compound with molecular formula C9H13N3S2 and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-thiophen-2-ylethyl)-1,3,5-triazinane-2-thione
Also Known As: 5-[2-(2-thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol, 5-(2-thiophen-2-ylethyl)-1,3,5-triazinane-2-thione, 5-(2-(Thiophen-2-yl)ethyl)-1,3,5-triazinane-2-thione, 5-(2-(Thiophen-2-yl)ethyl)-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol, 5-[2-(thiophen-2-yl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
| Molecular Formula | C9H13N3S2 |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 0.9853 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.05508 |
| Heavy Atoms | 14 |
| Complexity | 287.01553 |
Chemical Identifiers
| CAS Number | 879617-91-1 |
|---|---|
| SMILES | C1NC(=S)NCN1CCC2=CC=CS2 |
Product Overview
5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol (CAS 879617-91-1), with molecular formula C9H13N3S2 and molecular weight 227.06 g/mol. IUPAC: 5-(2-thiophen-2-ylethyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
Property Insights of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
The XLogP value of 0.9853 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol. With a topological polar surface area (TPSA) of 27.3 Ų, 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol has 2 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 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The CAS number of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is 879617-91-1.
What is the molecular formula of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The molecular formula of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is C9H13N3S2.
What is the molecular weight of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The molecular weight of 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is 227.06 g/mol.
Where can I buy 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
You can request a quote for 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(2-Thienyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.