6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
TL;DR: 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile (CAS 64527-54-4) is a chemical compound with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
Also Known As: 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile, 3,7-Dithia-1-cycloheptene-1,2-dicarbonitrile, 5H-1,4-Dithiepin-2,3-dicarbonitrile, 6,7-dihydro-, 5H-1,4-Dithiepin-2,3-dicarbonitrile,6,7-dihydro, 5H-1,4-Dithiepin-2,3-dicarbonitrile,6,7-dihydro-
| Molecular Formula | C7H6N2S2 |
|---|---|
| Molecular Weight | 182.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.99724 |
| Heavy Atoms | 11 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 64527-54-4 |
|---|---|
| SMILES | C1CSC(=C(SC1)C#N)C#N |
| InChIKey | GGMGBCSRAUSFMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile (CAS 64527-54-4), with molecular formula C7H6N2S2 and molecular weight 182.00 g/mol. IUPAC: 6,7-dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile.
Chemical Property Profile of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
Property Insights of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile. Following Lipinski's Rule of Five, 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile 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 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile?
The CAS number of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile is 64527-54-4.
What is the molecular formula of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile?
The molecular formula of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile is C7H6N2S2.
What is the molecular weight of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile?
The molecular weight of 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile is 182.00 g/mol.
Where can I buy 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile?
You can request a quote for 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dihydro-5H-1,4-dithiepine-2,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.