Tetrahydro-1,3,5-triazine-2(1H)-thione
TL;DR: Tetrahydro-1,3,5-triazine-2(1H)-thione (CAS 22052-04-6) is a chemical compound with molecular formula C3H7N3S and molecular weight 117.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,5-triazinane-2-thione
Also Known As: 1,3,5-triazinane-2-thione, 2-Thiotriazone, 2-Thioxohexahydrotriazine, (1S)-(-)-alpha-Pinene, Tetrahydro-1,3,5-triazine-2(1H)-thione
| Molecular Formula | C3H7N3S |
|---|---|
| Molecular Weight | 117.04 g/mol |
| LogP | -1.0313 |
| Topological Polar Surface Area | 36.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.03607 |
| Heavy Atoms | 7 |
| Complexity | 74.24921 |
Chemical Identifiers
| CAS Number | 22052-04-6 |
|---|---|
| SMILES | C1NCNC(=S)N1 |
Product Overview
Tetrahydro-1,3,5-triazine-2(1H)-thione (CAS 22052-04-6), with molecular formula C3H7N3S and molecular weight 117.04 g/mol. IUPAC: 1,3,5-triazinane-2-thione.
Chemical Property Profile of Tetrahydro-1,3,5-triazine-2(1H)-thione
Property Insights of Tetrahydro-1,3,5-triazine-2(1H)-thione
The XLogP value of -1.0313 indicates that Tetrahydro-1,3,5-triazine-2(1H)-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.09 Ų, Tetrahydro-1,3,5-triazine-2(1H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydro-1,3,5-triazine-2(1H)-thione has 3 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 Tetrahydro-1,3,5-triazine-2(1H)-thione?
The CAS number of Tetrahydro-1,3,5-triazine-2(1H)-thione is 22052-04-6.
What is the molecular formula of Tetrahydro-1,3,5-triazine-2(1H)-thione?
The molecular formula of Tetrahydro-1,3,5-triazine-2(1H)-thione is C3H7N3S.
What is the molecular weight of Tetrahydro-1,3,5-triazine-2(1H)-thione?
The molecular weight of Tetrahydro-1,3,5-triazine-2(1H)-thione is 117.04 g/mol.
Where can I buy Tetrahydro-1,3,5-triazine-2(1H)-thione?
You can request a quote for Tetrahydro-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-1,3,5-triazine-2(1H)-thione?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydro-1,3,5-triazine-2(1H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.