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Tetrahydrothieno[3,4-d][1,3]dioxol-2-one
TL;DR: Tetrahydrothieno[3,4-d][1,3]dioxol-2-one (CAS 62729-33-3) is a chemical compound with molecular formula C5H6O3S and molecular weight 146.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one
Also Known As: Tetrahydrothieno[3,4-d][1,3]dioxol-2-one, Tetrahydrothieno(3,4-d)(1,3)dioxol-2-one, 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one, Tetrahydro-2H-thieno[3,4-d][1,3]dioxol-2-one
| Molecular Formula | C5H6O3S |
|---|---|
| Molecular Weight | 146.00 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 146.00377 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 62729-33-3 |
|---|---|
| SMILES | C1C2C(CS1)OC(=O)O2 |
| InChIKey | HCBUMJUGIHKWQZ-UHFFFAOYSA-N |
Product Overview
Tetrahydrothieno[3,4-d][1,3]dioxol-2-one (CAS 62729-33-3), with molecular formula C5H6O3S and molecular weight 146.00 g/mol. IUPAC: 3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one.
Chemical Property Profile of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one
Property Insights of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrothieno[3,4-d][1,3]dioxol-2-one. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrahydrothieno[3,4-d][1,3]dioxol-2-one. Following Lipinski's Rule of Five, Tetrahydrothieno[3,4-d][1,3]dioxol-2-one has 0 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 Tetrahydrothieno[3,4-d][1,3]dioxol-2-one?
The CAS number of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one is 62729-33-3.
What is the molecular formula of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one?
The molecular formula of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one is C5H6O3S.
What is the molecular weight of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one?
The molecular weight of Tetrahydrothieno[3,4-d][1,3]dioxol-2-one is 146.00 g/mol.
Where can I buy Tetrahydrothieno[3,4-d][1,3]dioxol-2-one?
You can request a quote for Tetrahydrothieno[3,4-d][1,3]dioxol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydrothieno[3,4-d][1,3]dioxol-2-one?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydrothieno[3,4-d][1,3]dioxol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.