1,4-Dithiane, methyl
TL;DR: 1,4-Dithiane, methyl (CAS 36673-99-1) is a chemical compound with molecular formula C5H10S2 and molecular weight 134.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,4-dithiane
Also Known As: 2-Methyl-1,4-dithiane, 1,4-Dithiane, methyl, 1,4-Dithian, methyl, 1,4-Dithiane,2-methyl, 1,4-Dithiane, 2-methyl-
| Molecular Formula | C5H10S2 |
|---|---|
| Molecular Weight | 134.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 134.0224 |
| Heavy Atoms | 7 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 36673-99-1 |
|---|---|
| SMILES | CC1CSCCS1 |
| InChIKey | JMDYHOLGUWKACX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dithiane, methyl (CAS 36673-99-1), with molecular formula C5H10S2 and molecular weight 134.02 g/mol. IUPAC: 2-methyl-1,4-dithiane.
Chemical Property Profile of 1,4-Dithiane, methyl
Property Insights of 1,4-Dithiane, methyl
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dithiane, methyl. With a topological polar surface area (TPSA) of 50.6 Ų, 1,4-Dithiane, methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dithiane, methyl 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 1,4-Dithiane, methyl?
The CAS number of 1,4-Dithiane, methyl is 36673-99-1.
What is the molecular formula of 1,4-Dithiane, methyl?
The molecular formula of 1,4-Dithiane, methyl is C5H10S2.
What is the molecular weight of 1,4-Dithiane, methyl?
The molecular weight of 1,4-Dithiane, methyl is 134.02 g/mol.
Where can I buy 1,4-Dithiane, methyl?
You can request a quote for 1,4-Dithiane, methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dithiane, methyl?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dithiane, methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.