Methanethione, 2,4-cyclopentadien-1-ylidene-
TL;DR: Methanethione, 2,4-cyclopentadien-1-ylidene- (CAS 54191-78-5) is a chemical compound with molecular formula C6H4S and molecular weight 108.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopenta-2,4-dien-1-ylidenemethanethione
Also Known As: Methanethione, 2,4-cyclopentadien-1-ylidene-, (cyclopenta-2,4-dien-1-ylidene)methanethione, 5-(Thioxomethylene)-1,3-cyclopentadiene, cyclopenta-2,4-dien-1-ylidenemethanethione, (2,4-Cyclopentadiene-1-ylidene)methanethione
| Molecular Formula | C6H4S |
|---|---|
| Molecular Weight | 108.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.00337 |
| Heavy Atoms | 7 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 54191-78-5 |
|---|---|
| SMILES | C1=CC(=C=S)C=C1 |
| InChIKey | GCKOJJZSRSBUCP-UHFFFAOYSA-N |
Product Overview
Methanethione, 2,4-cyclopentadien-1-ylidene- (CAS 54191-78-5), with molecular formula C6H4S and molecular weight 108.00 g/mol. IUPAC: cyclopenta-2,4-dien-1-ylidenemethanethione.
Chemical Property Profile of Methanethione, 2,4-cyclopentadien-1-ylidene-
Property Insights of Methanethione, 2,4-cyclopentadien-1-ylidene-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanethione, 2,4-cyclopentadien-1-ylidene-. With a topological polar surface area (TPSA) of 32.1 Ų, Methanethione, 2,4-cyclopentadien-1-ylidene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanethione, 2,4-cyclopentadien-1-ylidene- 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 Methanethione, 2,4-cyclopentadien-1-ylidene-?
The CAS number of Methanethione, 2,4-cyclopentadien-1-ylidene- is 54191-78-5.
What is the molecular formula of Methanethione, 2,4-cyclopentadien-1-ylidene-?
The molecular formula of Methanethione, 2,4-cyclopentadien-1-ylidene- is C6H4S.
What is the molecular weight of Methanethione, 2,4-cyclopentadien-1-ylidene-?
The molecular weight of Methanethione, 2,4-cyclopentadien-1-ylidene- is 108.00 g/mol.
Where can I buy Methanethione, 2,4-cyclopentadien-1-ylidene-?
You can request a quote for Methanethione, 2,4-cyclopentadien-1-ylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanethione, 2,4-cyclopentadien-1-ylidene-?
Yes, KEHONG BIO provides custom synthesis services for Methanethione, 2,4-cyclopentadien-1-ylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.