5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺
TL;DR: 5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺 (CAS 24519-85-5) is a chemical compound with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺
2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Also Known As: 5,6-Dihydro-1,4-dithiin-2,3-dicarboximide, p-Dithiin-2, 5,6-dihydro-, 2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione, 3,4,5,5-tetrahydrophthalimide, p-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-
| Molecular Formula | C6H5NO2S2 |
|---|---|
| Molecular Weight | 186.98 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.97617 |
| Heavy Atoms | 11 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 24519-85-5 |
|---|---|
| SMILES | C1CSC2=C(S1)C(=O)NC2=O |
| InChIKey | XNIVQWHLYNEVBN-UHFFFAOYSA-N |
Product Overview
5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺 (CAS 24519-85-5), with molecular formula C6H5NO2S2 and molecular weight 186.98 g/mol. IUPAC: 2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione.
Chemical Property Profile of 5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺
Property Insights of 5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-二氢-1,4-二噻英-2,3-二甲酸亚胺. Following Lipinski's Rule of Five, 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 has 1 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 5,6-二氢-4-二噻英-2,3-二甲酸亚胺?
The CAS number of 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 is 24519-85-5.
What is the molecular formula of 5,6-二氢-4-二噻英-2,3-二甲酸亚胺?
The molecular formula of 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 is C6H5NO2S2.
What is the molecular weight of 5,6-二氢-4-二噻英-2,3-二甲酸亚胺?
The molecular weight of 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 is 186.98 g/mol.
Where can I buy 5,6-二氢-4-二噻英-2,3-二甲酸亚胺?
You can request a quote for 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-二氢-4-二噻英-2,3-二甲酸亚胺?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二氢-4-二噻英-2,3-二甲酸亚胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.