5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
TL;DR: 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol (CAS 669752-35-6) is a chemical compound with molecular formula C10H19N3S and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cycloheptyl-1,3,5-triazinane-2-thione
Also Known As: 5-cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol, 5-cycloheptyl-1,3,5-triazinane-2-thione, 5-cycloheptyl-1,3,5-triazaperhydroine-2-thione, 1,3,5-triazine-2-thiol, 5-cycloheptyl-1,4,5,6-tetrahydro-, 5-cycloheptyl-4,6-dihydro-1H-1,3,5-triazine-2-thiol
| Molecular Formula | C10H19N3S |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 1.4039 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.12997 |
| Heavy Atoms | 14 |
| Complexity | 189.5438 |
Chemical Identifiers
| CAS Number | 669752-35-6 |
|---|---|
| SMILES | C1CCCC(CC1)N2CNC(=S)NC2 |
Product Overview
5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol (CAS 669752-35-6), with molecular formula C10H19N3S and molecular weight 213.13 g/mol. IUPAC: 5-cycloheptyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
Property Insights of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
The XLogP value of 1.4039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol. With a topological polar surface area (TPSA) of 27.3 Ų, 5-Cycloheptyl-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-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol has 2 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 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The CAS number of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is 669752-35-6.
What is the molecular formula of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The molecular formula of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is C10H19N3S.
What is the molecular weight of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
The molecular weight of 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol is 213.13 g/mol.
Where can I buy 5-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
You can request a quote for 5-Cycloheptyl-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-Cycloheptyl-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-Cycloheptyl-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.