2,4-Cyclopentadiene-1-thione
TL;DR: 2,4-Cyclopentadiene-1-thione (CAS 77825-99-1) is a chemical compound with molecular formula C5H4S and molecular weight 96.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-2,4-diene-1-thione
Also Known As: cyclopentadienethione, 2,4-Cyclopentadiene-1-thione, Cyclopentadien-1-thione, cyclopenta-2,4-diene-1-thione, 1,3-Cyclopentadiene-5-thione
| Molecular Formula | C5H4S |
|---|---|
| Molecular Weight | 96.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.00337 |
| Heavy Atoms | 6 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 77825-99-1 |
|---|---|
| SMILES | C1=CC(=S)C=C1 |
| InChIKey | LTVUVBXSNMDXAL-UHFFFAOYSA-N |
Product Overview
2,4-Cyclopentadiene-1-thione (CAS 77825-99-1), with molecular formula C5H4S and molecular weight 96.00 g/mol. IUPAC: cyclopenta-2,4-diene-1-thione.
Chemical Property Profile of 2,4-Cyclopentadiene-1-thione
Property Insights of 2,4-Cyclopentadiene-1-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Cyclopentadiene-1-thione. With a topological polar surface area (TPSA) of 32.1 Ų, 2,4-Cyclopentadiene-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Cyclopentadiene-1-thione has 0 hydrogen bond donor(s) and 1 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 2,4-Cyclopentadiene-1-thione?
The CAS number of 2,4-Cyclopentadiene-1-thione is 77825-99-1.
What is the molecular formula of 2,4-Cyclopentadiene-1-thione?
The molecular formula of 2,4-Cyclopentadiene-1-thione is C5H4S.
What is the molecular weight of 2,4-Cyclopentadiene-1-thione?
The molecular weight of 2,4-Cyclopentadiene-1-thione is 96.00 g/mol.
Where can I buy 2,4-Cyclopentadiene-1-thione?
You can request a quote for 2,4-Cyclopentadiene-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Cyclopentadiene-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Cyclopentadiene-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.