2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine
TL;DR: 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine (CAS 3169-26-4) is a chemical compound with molecular formula C6H7N3S2 and molecular weight 185.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-imino-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-7-amine
Also Known As: 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine, 5-amino-2-imino-3,4-ethylenedithio-2H-pyrrole, 5-imino-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-7-amine, 2,3-Dihydro-5-imino-5H-1,4-dithiino(2,3-c)pyrrol-7-amine, 5-imino-2,3-dihydro-5h-[1,4]dithiino[2,3-c]pyrrol-7-amine
| Molecular Formula | C6H7N3S2 |
|---|---|
| Molecular Weight | 185.01 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.00813 |
| Heavy Atoms | 11 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 3169-26-4 |
|---|---|
| SMILES | C1CSC2=C(S1)C(=NC2=N)N |
| InChIKey | XTFKKPTYHWLGMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine (CAS 3169-26-4), with molecular formula C6H7N3S2 and molecular weight 185.01 g/mol. IUPAC: 5-imino-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrol-7-amine.
Chemical Property Profile of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine
Property Insights of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine. Following Lipinski's Rule of Five, 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine has 2 hydrogen bond donor(s) and 3 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 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine?
The CAS number of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine is 3169-26-4.
What is the molecular formula of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine?
The molecular formula of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine is C6H7N3S2.
What is the molecular weight of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine?
The molecular weight of 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine is 185.01 g/mol.
Where can I buy 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine?
You can request a quote for 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-5-imino-5H-1,4-dithiino[2,3-c]pyrrol-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.