3,5-Dimethyl-4H-thiopyran-4-thione
TL;DR: 3,5-Dimethyl-4H-thiopyran-4-thione (CAS 18542-87-5) is a chemical compound with molecular formula C7H8S2 and molecular weight 156.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylthiopyran-4-thione
Also Known As: 3,5-Dimethyl-4H-thiopyran-4-thione, 3,5-dimethylthiopyran-4-thione, 3,5-Dimethylthiopyran-4-thion, 4H-THIOPYRAN-4-THIONE, 3,5-DIMETHYL-, RefChem:91592
| Molecular Formula | C7H8S2 |
|---|---|
| Molecular Weight | 156.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.00674 |
| Heavy Atoms | 9 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 18542-87-5 |
|---|---|
| SMILES | CC1=CSC=C(C1=S)C |
| InChIKey | ZUIWWIPJGPOLBR-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-4H-thiopyran-4-thione (CAS 18542-87-5), with molecular formula C7H8S2 and molecular weight 156.01 g/mol. IUPAC: 3,5-dimethylthiopyran-4-thione.
Chemical Property Profile of 3,5-Dimethyl-4H-thiopyran-4-thione
Property Insights of 3,5-Dimethyl-4H-thiopyran-4-thione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-4H-thiopyran-4-thione. With a topological polar surface area (TPSA) of 57.4 Ų, 3,5-Dimethyl-4H-thiopyran-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-4H-thiopyran-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-Dimethyl-4H-thiopyran-4-thione?
The CAS number of 3,5-Dimethyl-4H-thiopyran-4-thione is 18542-87-5.
What is the molecular formula of 3,5-Dimethyl-4H-thiopyran-4-thione?
The molecular formula of 3,5-Dimethyl-4H-thiopyran-4-thione is C7H8S2.
What is the molecular weight of 3,5-Dimethyl-4H-thiopyran-4-thione?
The molecular weight of 3,5-Dimethyl-4H-thiopyran-4-thione is 156.01 g/mol.
Where can I buy 3,5-Dimethyl-4H-thiopyran-4-thione?
You can request a quote for 3,5-Dimethyl-4H-thiopyran-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-Dimethyl-4H-thiopyran-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-4H-thiopyran-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.