4H-Thiopyran-4-thione
TL;DR: 4H-Thiopyran-4-thione (CAS 1120-94-1) is a chemical compound with molecular formula C1=CSC=CC1=S and molecular weight 127.97544 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thiopyran-4-thione
Also Known As: 4H-Thiopyran-4-thione, thiopyran-4-thione, PHTICVKXTBXWRX-UHFFFAOYSA-
Technical Specifications
| Molecular Formula | C1=CSC=CC1=S |
| Molecular Weight | 127.97544 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 57.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.97544 Da |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
| SMILES | C1=CSC=CC1=S |
| InChIKey | PHTICVKXTBXWRX-UHFFFAOYSA-N |
Chemical Property Profile of 4H-Thiopyran-4-thione
Property Insights of 4H-Thiopyran-4-thione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Thiopyran-4-thione. With a topological polar surface area (TPSA) of 57.4 Ų, 4H-Thiopyran-4-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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
What is the CAS number of 4H-Thiopyran-4-thione?
The CAS number of 4H-Thiopyran-4-thione is 1120-94-1.
What is the molecular formula of 4H-Thiopyran-4-thione?
The molecular formula of 4H-Thiopyran-4-thione is C1=CSC=CC1=S.
What is the molecular weight of 4H-Thiopyran-4-thione?
The molecular weight of 4H-Thiopyran-4-thione is 127.97544 g/mol.
Where can I buy 4H-Thiopyran-4-thione?
You can request a quote for 4H-Thiopyran-4-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-Thiopyran-4-thione?
Yes, CoreyChem provides custom synthesis services for 4H-Thiopyran-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.