1,3-Dioxole-2-thione
TL;DR: 1,3-Dioxole-2-thione (CAS 37635-87-3) is a chemical compound with molecular formula C3H2O2S and molecular weight 101.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dioxole-2-thione
Also Known As: 1,3-Dioxole-2-thione, 1,3-dioxol-2-thione, 2H-1,3-dioxole-2-thione, [1,3]dioxole-2-thione, J2.773.310G
| Molecular Formula | C3H2O2S |
|---|---|
| Molecular Weight | 101.98 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.97755 |
| Heavy Atoms | 6 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 37635-87-3 |
|---|---|
| SMILES | C1=COC(=S)O1 |
| InChIKey | MMGCXSBBWCOBEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxole-2-thione (CAS 37635-87-3), with molecular formula C3H2O2S and molecular weight 101.98 g/mol. IUPAC: 1,3-dioxole-2-thione.
Chemical Property Profile of 1,3-Dioxole-2-thione
Property Insights of 1,3-Dioxole-2-thione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxole-2-thione. With a topological polar surface area (TPSA) of 50.6 Ų, 1,3-Dioxole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxole-2-thione 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?
The CAS number of 1,3-Dioxole-2-thione is 37635-87-3.
What is the molecular formula of 1,3-Dioxole-2-thione?
The molecular formula of 1,3-Dioxole-2-thione is C3H2O2S.
What is the molecular weight of 1,3-Dioxole-2-thione?
The molecular weight of 1,3-Dioxole-2-thione is 101.98 g/mol.
Where can I buy 1,3-Dioxole-2-thione?
You can request a quote for 1,3-Dioxole-2-thione 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?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.