5,6-二氢-1,4-二噻英-2,3-二腈
TL;DR: 5,6-二氢-1,4-二噻英-2,3-二腈 (CAS 24519-27-5) is a chemical compound with molecular formula C6H4N2S2 and molecular weight 167.98 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-2,3-二腈
2,3-dihydro-1,4-dithiine-5,6-dicarbonitrile
Also Known As: 5,6-Dihydro-1,4-dithiin-2,3-dicarbonitrile, 5,6-dihydro-1,4-dithiine-2,3-dicarbonitrile, 2,3-dicyano-5,6-dihydro-p-dithiin, 1,4-dithia-2-cyclohexene-2,3-dicarbonitrile, 2,3-dihydro-1,4-dithiine-5,6-dicarbonitrile
| Molecular Formula | C6H4N2S2 |
|---|---|
| Molecular Weight | 167.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.9816 |
| Heavy Atoms | 10 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 24519-27-5 |
|---|---|
| SMILES | C1CSC(=C(S1)C#N)C#N |
| InChIKey | FBSVHCGELQWERO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-二氢-1,4-二噻英-2,3-二腈 (CAS 24519-27-5), with molecular formula C6H4N2S2 and molecular weight 167.98 g/mol. IUPAC: 2,3-dihydro-1,4-dithiine-5,6-dicarbonitrile.
Chemical Property Profile of 5,6-二氢-1,4-二噻英-2,3-二腈
Property Insights of 5,6-二氢-1,4-二噻英-2,3-二腈
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-二氢-1,4-二噻英-2,3-二腈. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-二氢-1,4-二噻英-2,3-二腈. Following Lipinski's Rule of Five, 5,6-二氢-1,4-二噻英-2,3-二腈 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 5,6-二氢-1,4-二噻英-2,3-二腈?
The CAS number of 5,6-二氢-1,4-二噻英-2,3-二腈 is 24519-27-5.
What is the molecular formula of 5,6-二氢-1,4-二噻英-2,3-二腈?
The molecular formula of 5,6-二氢-1,4-二噻英-2,3-二腈 is C6H4N2S2.
What is the molecular weight of 5,6-二氢-1,4-二噻英-2,3-二腈?
The molecular weight of 5,6-二氢-1,4-二噻英-2,3-二腈 is 167.98 g/mol.
Where can I buy 5,6-二氢-1,4-二噻英-2,3-二腈?
You can request a quote for 5,6-二氢-1,4-二噻英-2,3-二腈 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-1,4-二噻英-2,3-二腈?
Yes, KEHONG BIO provides custom synthesis services for 5,6-二氢-1,4-二噻英-2,3-二腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.