Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione
TL;DR: Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione (CAS 61582-12-5) is a chemical compound with molecular formula C15H13N5O4S and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione
Also Known As: Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione, 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione, 1,3,5-Triazine-2(1H)-thione, tetrahydro-4,6-bis(3-nitrophenyl)-, 4,6-Bis(3-nitrophenyl)-1,4,5,6-tetrahydro-1,3,5-triazine-2-thiol
| Molecular Formula | C15H13N5O4S |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | 2.2677 |
| Topological Polar Surface Area | 122.37 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.06882 |
| Heavy Atoms | 25 |
| Complexity | 791.8203 |
Chemical Identifiers
| CAS Number | 61582-12-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2NC(NC(=S)N2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione (CAS 61582-12-5), with molecular formula C15H13N5O4S and molecular weight 359.07 g/mol. IUPAC: 4,6-bis(3-nitrophenyl)-1,3,5-triazinane-2-thione.
Chemical Property Profile of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione
Property Insights of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione
The XLogP value of 2.2677 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione. The TPSA of 122.37 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione. Following Lipinski's Rule of Five, Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione has 3 hydrogen bond donor(s) and 6 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 Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione?
The CAS number of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione is 61582-12-5.
What is the molecular formula of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione?
The molecular formula of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione is C15H13N5O4S.
What is the molecular weight of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione?
The molecular weight of Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione is 359.07 g/mol.
Where can I buy Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione?
You can request a quote for Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-4,6-bis(3-nitrophenyl)-1,3,5-triazine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.