2,5-Thiophenedione, 3,4-dimethyl-
TL;DR: 2,5-Thiophenedione, 3,4-dimethyl- (CAS 10547-83-8) is a chemical compound with molecular formula C6H6O2S and molecular weight 142.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethylthiophene-2,5-dione
Also Known As: 3,4-dimethylthiophene-2,5-dione, 3-Hydroxy-2-nitrophenyl acetate, 2,5-Thiophenedione, 3,4-dimethyl-, 3,4-Dimethyl-2,5-thiophendion, dimethyl-2,5-dihydrothiophene-2,5-dione
| Molecular Formula | C6H6O2S |
|---|---|
| Molecular Weight | 142.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.00885 |
| Heavy Atoms | 9 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 10547-83-8 |
|---|---|
| SMILES | CC1=C(C(=O)SC1=O)C |
| InChIKey | QINKKBMLWVZGGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Thiophenedione, 3,4-dimethyl- (CAS 10547-83-8), with molecular formula C6H6O2S and molecular weight 142.01 g/mol. IUPAC: 3,4-dimethylthiophene-2,5-dione.
Chemical Property Profile of 2,5-Thiophenedione, 3,4-dimethyl-
Property Insights of 2,5-Thiophenedione, 3,4-dimethyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Thiophenedione, 3,4-dimethyl-. With a topological polar surface area (TPSA) of 59.4 Ų, 2,5-Thiophenedione, 3,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Thiophenedione, 3,4-dimethyl- 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 2,5-Thiophenedione, 3,4-dimethyl-?
The CAS number of 2,5-Thiophenedione, 3,4-dimethyl- is 10547-83-8.
What is the molecular formula of 2,5-Thiophenedione, 3,4-dimethyl-?
The molecular formula of 2,5-Thiophenedione, 3,4-dimethyl- is C6H6O2S.
What is the molecular weight of 2,5-Thiophenedione, 3,4-dimethyl-?
The molecular weight of 2,5-Thiophenedione, 3,4-dimethyl- is 142.01 g/mol.
Where can I buy 2,5-Thiophenedione, 3,4-dimethyl-?
You can request a quote for 2,5-Thiophenedione, 3,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Thiophenedione, 3,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Thiophenedione, 3,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.