3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione
TL;DR: 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione (CAS 25952-35-6) is a chemical compound with molecular formula C5H10N2OS and molecular weight 146.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1,3,5-oxadiazinane-4-thione
Also Known As: TDOT, 3,5-dimethyl-1,3,5-oxadiazinane-4-thione, 4H-1,3,5-Oxadiazine-4-thione, tetrahydro-3,5-dimethyl-, 3,5-Dimethyl-perhydro-1,3,5-oxadiazine-4-thione, 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione
| Molecular Formula | C5H10N2OS |
|---|---|
| Molecular Weight | 146.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.05139 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 25952-35-6 |
|---|---|
| SMILES | CN1COCN(C1=S)C |
| InChIKey | SDWKXMBJXPQCJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione (CAS 25952-35-6), with molecular formula C5H10N2OS and molecular weight 146.05 g/mol. IUPAC: 3,5-dimethyl-1,3,5-oxadiazinane-4-thione.
Chemical Property Profile of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione
Property Insights of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione. With a topological polar surface area (TPSA) of 47.8 Ų, 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-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 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione?
The CAS number of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione is 25952-35-6.
What is the molecular formula of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione?
The molecular formula of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione is C5H10N2OS.
What is the molecular weight of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione?
The molecular weight of 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione is 146.05 g/mol.
Where can I buy 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione?
You can request a quote for 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethylhexahydro-1,3,5-oxadiazine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.