(1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)
TL;DR: (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) (CAS 40159-76-0) is a chemical compound with molecular formula C5H4O2S and molecular weight 127.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dioxa-1λ4-thiabicyclo[3.3.0]octa-1(5),3,6-triene
Also Known As: 2,8-dioxa-1, 1,6-Dioxa-6a-thiapentalene, 1,6-Dioxa-6a-thia(IV)pentalene, (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv), J1.120.473B
| Molecular Formula | C5H4O2S |
|---|---|
| Molecular Weight | 127.99 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 37.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.9932 |
| Heavy Atoms | 8 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 40159-76-0 |
|---|---|
| SMILES | C1=COS2=C1C=CO2 |
| InChIKey | WJOZPVOSBRBMLR-UHFFFAOYSA-N |
Product Overview
(1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) (CAS 40159-76-0), with molecular formula C5H4O2S and molecular weight 127.99 g/mol. IUPAC: 2,8-dioxa-1λ4-thiabicyclo[3.3.0]octa-1(5),3,6-triene.
Chemical Property Profile of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)
Property Insights of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv). With a topological polar surface area (TPSA) of 37.7 Ų, (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) 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 (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)?
The CAS number of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) is 40159-76-0.
What is the molecular formula of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)?
The molecular formula of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) is C5H4O2S.
What is the molecular weight of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)?
The molecular weight of (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) is 127.99 g/mol.
Where can I buy (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)?
You can request a quote for (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv)?
Yes, KEHONG BIO provides custom synthesis services for (1,2)Oxathiolo(2,3-b)(1,2)oxathiole-7-s(iv) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.