![2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid structure](/static/products/956/956766-36-2.png)
2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid
TL;DR: 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid (CAS 956766-36-2) is a chemical compound with molecular formula C7H9NO4S3 and molecular weight 266.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]sulfanyl]acetic acid
Also Known As: 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid, 2-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]sulfanyl]acetic acid, 2-{[(3aS,6aS)-5,5-dioxo-3aH,4H,6H,6aH-1,5$l^{6},3-[1$l^{6}]thieno[3,4-d][1,3]thiazol-2-yl]sulfanyl}acetic acid, 2-[[(1R,5S)-3,3-dioxo-3$l^{6},8-dithia-6-azabicyclo[3.3.0]oct-6-en-7-yl]sulfanyl]acetic Acid, 2-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl]sulfanyl]acetic acid
| Molecular Formula | C7H9NO4S3 |
|---|---|
| Molecular Weight | 266.97 g/mol |
| LogP | 0.0726 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.96936 |
| Heavy Atoms | 15 |
| Complexity | 415.95123 |
Chemical Identifiers
| CAS Number | 956766-36-2 |
|---|---|
| SMILES | C1[C@H]2[C@@H](CS1(=O)=O)SC(=N2)SCC(=O)O |
Product Overview
2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid (CAS 956766-36-2), with molecular formula C7H9NO4S3 and molecular weight 266.97 g/mol. IUPAC: 2-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid
Property Insights of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid
The XLogP value of 0.0726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid. Following Lipinski's Rule of Five, 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid has 1 hydrogen bond donor(s) and 6 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-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid?
The CAS number of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid is 956766-36-2.
What is the molecular formula of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid?
The molecular formula of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid is C7H9NO4S3.
What is the molecular weight of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid?
The molecular weight of 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid is 266.97 g/mol.
Where can I buy 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid?
You can request a quote for 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3aS,6aS)-5,5-dioxo-4H,6H,3aH,6aH-thiolano[3,4-d]1,3-thiazolin-2-ylthio)ace tic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.