5-Benzyl-1,3,5-triazinane-2-thione
TL;DR: 5-Benzyl-1,3,5-triazinane-2-thione (CAS 42170-02-5) is a chemical compound with molecular formula C10H13N3S and molecular weight 207.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1,3,5-triazinane-2-thione
Also Known As: 5-benzyl-1,3,5-triazinane-2-thione, 5-Benzylhexahydro-1,3,5-triazine-2-thione, starbld0007490, Maybridge1_003434, 5-Benzyl-[1,3,5]triazinane-2-thione
| Molecular Formula | C10H13N3S |
|---|---|
| Molecular Weight | 207.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.08302 |
| Heavy Atoms | 14 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 42170-02-5 |
|---|---|
| SMILES | C1NC(=S)NCN1CC2=CC=CC=C2 |
| InChIKey | SONULLPFRANLHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-1,3,5-triazinane-2-thione (CAS 42170-02-5), with molecular formula C10H13N3S and molecular weight 207.08 g/mol. IUPAC: 5-benzyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Benzyl-1,3,5-triazinane-2-thione
Property Insights of 5-Benzyl-1,3,5-triazinane-2-thione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-1,3,5-triazinane-2-thione. With a topological polar surface area (TPSA) of 59.4 Ų, 5-Benzyl-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1,3,5-triazinane-2-thione 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-Benzyl-1,3,5-triazinane-2-thione?
The CAS number of 5-Benzyl-1,3,5-triazinane-2-thione is 42170-02-5.
What is the molecular formula of 5-Benzyl-1,3,5-triazinane-2-thione?
The molecular formula of 5-Benzyl-1,3,5-triazinane-2-thione is C10H13N3S.
What is the molecular weight of 5-Benzyl-1,3,5-triazinane-2-thione?
The molecular weight of 5-Benzyl-1,3,5-triazinane-2-thione is 207.08 g/mol.
Where can I buy 5-Benzyl-1,3,5-triazinane-2-thione?
You can request a quote for 5-Benzyl-1,3,5-triazinane-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1,3,5-triazinane-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.