Thiophene-3,4-diamine
TL;DR: Thiophene-3,4-diamine (CAS 169698-12-8) is a chemical compound with molecular formula C4H6N2S and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophene-3,4-diamine
Also Known As: 3,4-Diaminothiophene, thiophene-3,4-diamine, 3,4-thiophenediamine, 3,4-Diaminothiophene dihydrobromide, Thiophene-3,4-diamine dihydrobromide
| Molecular Formula | C4H6N2S |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 58.0 |
Chemical Identifiers
| CAS Number | 169698-12-8 |
|---|---|
| SMILES | C1=C(C(=CS1)N)N |
| InChIKey | AGZYNVVJQAOVRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiophene-3,4-diamine (CAS 169698-12-8), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: thiophene-3,4-diamine.
Chemical Property Profile of Thiophene-3,4-diamine
Property Insights of Thiophene-3,4-diamine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiophene-3,4-diamine. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiophene-3,4-diamine. Following Lipinski's Rule of Five, Thiophene-3,4-diamine 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 Thiophene-3,4-diamine?
The CAS number of Thiophene-3,4-diamine is 169698-12-8.
What is the molecular formula of Thiophene-3,4-diamine?
The molecular formula of Thiophene-3,4-diamine is C4H6N2S.
What is the molecular weight of Thiophene-3,4-diamine?
The molecular weight of Thiophene-3,4-diamine is 114.03 g/mol.
Where can I buy Thiophene-3,4-diamine?
You can request a quote for Thiophene-3,4-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiophene-3,4-diamine?
Yes, KEHONG BIO provides custom synthesis services for Thiophene-3,4-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.