1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone
TL;DR: 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone (CAS 1005-55-6) is a chemical compound with molecular formula CC1=CC(=CC(=O)C)SS1 and molecular weight 172.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-methyldithiol-3-ylidene)propan-2-one
Also Known As: 3-methyl-5-acetonyliden-1,2-dithiol, 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)propan-2-one
| Molecular Formula | CC1=CC(=CC(=O)C)SS1 |
|---|---|
| Molecular Weight | 172.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.00166 |
| Heavy Atoms | 10 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 1005-55-6 |
|---|---|
| SMILES | CC1=CC(=CC(=O)C)SS1 |
| InChIKey | YAIGSGPVNPIUNY-UHFFFAOYSA-N |
Product Overview
1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone (CAS 1005-55-6), with molecular formula CC1=CC(=CC(=O)C)SS1 and molecular weight 172.00 g/mol. IUPAC: 1-(5-methyldithiol-3-ylidene)propan-2-one.
Chemical Property Profile of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone
Property Insights of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone. Following Lipinski's Rule of Five, 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone has 0 hydrogen bond donor(s) and 3 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 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone?
The CAS number of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone is 1005-55-6.
What is the molecular formula of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone?
The molecular formula of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone is CC1=CC(=CC(=O)C)SS1.
What is the molecular weight of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone?
The molecular weight of 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone is 172.00 g/mol.
Where can I buy 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone?
You can request a quote for 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Methyl-3H-1,2-dithiol-3-ylidene)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.