Thiacremonone
TL;DR: Thiacremonone (CAS 96504-28-8) is a chemical compound with molecular formula C6H8O3S and molecular weight 160.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydroxy-2,5-dimethylthiophen-3-one
Also Known As: Thiacremonone, 2,4-dihydroxy-2,5-dimethylthiophen-3-one, 2,4-Dihydroxy-2,5-dimethylthiophen-3(2H)-one, 2,5-Dimethyl-2,4-dihydroxy-3(2H)-thiophenone, 2,4-Dihydroxy-2,5-dimethyl-3(2H)-thiophenone
| Molecular Formula | C6H8O3S |
|---|---|
| Molecular Weight | 160.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 82.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.01941 |
| Heavy Atoms | 10 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 96504-28-8 |
|---|---|
| SMILES | CC1=C(C(=O)C(S1)(C)O)O |
| InChIKey | JYMIRUWYSKOKRU-UHFFFAOYSA-N |
Product Overview
Thiacremonone (CAS 96504-28-8), with molecular formula C6H8O3S and molecular weight 160.02 g/mol. IUPAC: 2,4-dihydroxy-2,5-dimethylthiophen-3-one.
Chemical Property Profile of Thiacremonone
Property Insights of Thiacremonone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiacremonone. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiacremonone. Following Lipinski's Rule of Five, Thiacremonone has 2 hydrogen bond donor(s) and 4 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 Thiacremonone?
The CAS number of Thiacremonone is 96504-28-8.
What is the molecular formula of Thiacremonone?
The molecular formula of Thiacremonone is C6H8O3S.
What is the molecular weight of Thiacremonone?
The molecular weight of Thiacremonone is 160.02 g/mol.
Where can I buy Thiacremonone?
You can request a quote for Thiacremonone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiacremonone?
Yes, KEHONG BIO provides custom synthesis services for Thiacremonone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.