5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione
TL;DR: 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione (CAS 101435-69-2) is a chemical compound with molecular formula C16H17N3S and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-diphenyl-1,3,5-triazinane-2-thione
Also Known As: 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione, 5-Methyl-1,3-diphenyl-1,3,5-triazinane-2-thione, Hexahydro-5-methyl-1,3-diphenyl-1,3,5-triazine-2-thione, 5-Methyl-1,3-diphenyl-1,3,5-triazinane-2-thione #, 1,3-Diphenyl-5-methylhexahydro-1,3,5-triazine-2-thione
| Molecular Formula | C16H17N3S |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 41.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.11432 |
| Heavy Atoms | 20 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 101435-69-2 |
|---|---|
| SMILES | CN1CN(C(=S)N(C1)C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | WUMBPNVSMFOCPZ-UHFFFAOYSA-N |
Product Overview
5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione (CAS 101435-69-2), with molecular formula C16H17N3S and molecular weight 283.11 g/mol. IUPAC: 5-methyl-1,3-diphenyl-1,3,5-triazinane-2-thione.
Chemical Property Profile of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione
Property Insights of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione
The XLogP value of 3.5 indicates that 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.8 Ų, 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione has 0 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-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione?
The CAS number of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione is 101435-69-2.
What is the molecular formula of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione?
The molecular formula of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione is C16H17N3S.
What is the molecular weight of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione?
The molecular weight of 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione is 283.11 g/mol.
Where can I buy 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione?
You can request a quote for 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-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-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-1,3-diphenylhexahydro-1,3,5-triazin-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.