6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione
TL;DR: 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione (CAS 63442-66-0) is a chemical compound with molecular formula C5H12N4S and molecular weight 160.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-propan-2-yl-1,2,4,5-tetrazinane-3-thione
Also Known As: 6-propan-2-yl-1,2,4,5-tetrazinane-3-thione, 6-(propan-2-yl)-1,2,4,5-tetrazinane-3-thione, 6-ISOPROPYL-1,2,4,5-TETRAZINANE-3-THIONE, 6-(methylethyl)-1,2,4,5-tetraazaperhydroine-3-thione, 1,2,4,5-Tetrazine-3(2H)-thione, tetrahydro-6-(1-methylethyl)- (9CI)
| Molecular Formula | C5H12N4S |
|---|---|
| Molecular Weight | 160.08 g/mol |
| LogP | -0.5446 |
| Topological Polar Surface Area | 48.12 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 160.07826 |
| Heavy Atoms | 10 |
| Complexity | 125.60964 |
Chemical Identifiers
| CAS Number | 63442-66-0 |
|---|---|
| SMILES | CC(C)C1NNC(=S)NN1 |
Product Overview
6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione (CAS 63442-66-0), with molecular formula C5H12N4S and molecular weight 160.08 g/mol. IUPAC: 6-propan-2-yl-1,2,4,5-tetrazinane-3-thione.
Chemical Property Profile of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione
Property Insights of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione
The XLogP value of -0.5446 indicates that 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 48.12 Ų, 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione has 4 hydrogen bond donor(s) and 3 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 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione?
The CAS number of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione is 63442-66-0.
What is the molecular formula of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione?
The molecular formula of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione is C5H12N4S.
What is the molecular weight of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione?
The molecular weight of 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione is 160.08 g/mol.
Where can I buy 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione?
You can request a quote for 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Propan-2-yl)-1,2,4,5-tetrazinane-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.