![2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione structure](/static/products/4778/477846-18-7.webp)
2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
TL;DR: 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione (CAS 477846-18-7) is a chemical compound with molecular formula C12H9N3O2S3 and molecular weight 322.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione
Also Known As: 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione, 2-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione, 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione, 2-[2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]isoindoline-1,3-dione, C12H9N3O2S3
| Molecular Formula | C12H9N3O2S3 |
|---|---|
| Molecular Weight | 322.99 g/mol |
| LogP | 2.58899 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.9857 |
| Heavy Atoms | 20 |
| Complexity | 702.2988 |
Chemical Identifiers
| CAS Number | 477846-18-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NNC(=S)S3 |
Product Overview
2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione (CAS 477846-18-7), with molecular formula C12H9N3O2S3 and molecular weight 322.99 g/mol. IUPAC: 2-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione.
Chemical Property Profile of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
Property Insights of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione
The XLogP value of 2.58899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione. Following Lipinski's Rule of Five, 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione 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-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione?
The CAS number of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione is 477846-18-7.
What is the molecular formula of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione?
The molecular formula of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione is C12H9N3O2S3.
What is the molecular weight of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione?
The molecular weight of 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione is 322.99 g/mol.
Where can I buy 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione?
You can request a quote for 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-1H-isoindole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.