1,3-Dioxole-2-thione, 4,5-dimethyl-
TL;DR: 1,3-Dioxole-2-thione, 4,5-dimethyl- (CAS 37528-00-0) is a chemical compound with molecular formula C5H6O2S and molecular weight 130.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethyl-1,3-dioxole-2-thione
Also Known As: 4,5-dimethyl-1,3-dioxole-2-thione, 1,3-Dioxole-2-thione, 4,5-dimethyl-, 1,3-Dioxole-2-thione,4,5-dimethyl-, 1,3-Dioxole-2-thione,4,5-dimethyl, 4,5-Dimethyl-2H-1,3-dioxole-2-thione
| Molecular Formula | C5H6O2S |
|---|---|
| Molecular Weight | 130.01 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.00885 |
| Heavy Atoms | 8 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 37528-00-0 |
|---|---|
| SMILES | CC1=C(OC(=S)O1)C |
| InChIKey | FOAPIIABPNSDMV-UHFFFAOYSA-N |
Product Overview
1,3-Dioxole-2-thione, 4,5-dimethyl- (CAS 37528-00-0), with molecular formula C5H6O2S and molecular weight 130.01 g/mol. IUPAC: 4,5-dimethyl-1,3-dioxole-2-thione.
Chemical Property Profile of 1,3-Dioxole-2-thione, 4,5-dimethyl-
Property Insights of 1,3-Dioxole-2-thione, 4,5-dimethyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxole-2-thione, 4,5-dimethyl-. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dioxole-2-thione, 4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxole-2-thione, 4,5-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 1,3-Dioxole-2-thione, 4,5-dimethyl-?
The CAS number of 1,3-Dioxole-2-thione, 4,5-dimethyl- is 37528-00-0.
What is the molecular formula of 1,3-Dioxole-2-thione, 4,5-dimethyl-?
The molecular formula of 1,3-Dioxole-2-thione, 4,5-dimethyl- is C5H6O2S.
What is the molecular weight of 1,3-Dioxole-2-thione, 4,5-dimethyl-?
The molecular weight of 1,3-Dioxole-2-thione, 4,5-dimethyl- is 130.01 g/mol.
Where can I buy 1,3-Dioxole-2-thione, 4,5-dimethyl-?
You can request a quote for 1,3-Dioxole-2-thione, 4,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxole-2-thione, 4,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxole-2-thione, 4,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.