1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
TL;DR: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- (CAS 106971-47-5) is a chemical compound with molecular formula C13H10O3S2 and molecular weight 278.00714 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)butane-1,3-dione
Also Known As: 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-, 2-(1,3-Dithiol-2-ylidene)-1-(4-hydroxyphenyl)-1,3-butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)butane-1,3-dione, 2-(2H-1,3-Dithiol-2-ylidene)-1-(4-hydroxyphenyl)butane-1,3-dione
Technical Specifications
| Molecular Formula | C13H10O3S2 |
| Molecular Weight | 278.00714 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.00714 Da |
| Heavy Atoms | 18 |
| Complexity | 408.0 |
| SMILES | CC(=O)C(=C1SC=CS1)C(=O)C2=CC=C(C=C2)O |
| InChIKey | RLBYFLHVXMRYDZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
Property Insights of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-. Following Lipinski's Rule of Five, 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-?
The CAS number of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- is 106971-47-5.
What is the molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-?
The molecular formula of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- is C13H10O3S2.
What is the molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-?
The molecular weight of 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- is 278.00714 g/mol.
Where can I buy 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-?
You can request a quote for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Butanedione, 2-(1,3-dithiol-2-ylidene)-1-(4-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.