2-Thiophenamine, 3,5-dinitro-
TL;DR: 2-Thiophenamine, 3,5-dinitro- (CAS 2045-70-7) is a chemical compound with molecular formula C4H3N3O4S and molecular weight 188.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitrothiophen-2-amine
Also Known As: 2-Amino-3,5-dinitrothiophene, 3,5-dinitrothiophen-2-amine, adnt, 2-Thiophenamine, 3,5-dinitro-, 3,5-dinitro-2-thienylamine
| Molecular Formula | C4H3N3O4S |
|---|---|
| Molecular Weight | 188.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.98442 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 2045-70-7 |
|---|---|
| SMILES | C1=C(SC(=C1[N+](=O)[O-])N)[N+](=O)[O-] |
| InChIKey | DZRZHFOFVWAKGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenamine, 3,5-dinitro- (CAS 2045-70-7), with molecular formula C4H3N3O4S and molecular weight 188.98 g/mol. IUPAC: 3,5-dinitrothiophen-2-amine.
Chemical Property Profile of 2-Thiophenamine, 3,5-dinitro-
Property Insights of 2-Thiophenamine, 3,5-dinitro-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenamine, 3,5-dinitro-. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-Thiophenamine, 3,5-dinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Thiophenamine, 3,5-dinitro- has 1 hydrogen bond donor(s) and 6 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-Thiophenamine, 3,5-dinitro-?
The CAS number of 2-Thiophenamine, 3,5-dinitro- is 2045-70-7.
What is the molecular formula of 2-Thiophenamine, 3,5-dinitro-?
The molecular formula of 2-Thiophenamine, 3,5-dinitro- is C4H3N3O4S.
What is the molecular weight of 2-Thiophenamine, 3,5-dinitro-?
The molecular weight of 2-Thiophenamine, 3,5-dinitro- is 188.98 g/mol.
Where can I buy 2-Thiophenamine, 3,5-dinitro-?
You can request a quote for 2-Thiophenamine, 3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenamine, 3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenamine, 3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.