3-Thiophenamine, N-butyl-2-nitro-
TL;DR: 3-Thiophenamine, N-butyl-2-nitro- (CAS 122777-61-1) is a chemical compound with molecular formula C8H12N2O2S and molecular weight 200.06195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-2-nitrothiophen-3-amine
Also Known As: 3-Thiophenamine, N-butyl-2-nitro-, N-Butyl-2-nitro-3-thiophenamine, N-butyl-2-nitrothiophen-3-amine, BRN 5935967
Technical Specifications
| Molecular Formula | C8H12N2O2S |
| Molecular Weight | 200.06195 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.06195 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | CCCCNC1=C(SC=C1)[N+](=O)[O-] |
| InChIKey | ZKVRCOIETBFZSW-UHFFFAOYSA-N |
Chemical Property Profile of 3-Thiophenamine, N-butyl-2-nitro-
Property Insights of 3-Thiophenamine, N-butyl-2-nitro-
The XLogP value of 3.6 indicates that 3-Thiophenamine, N-butyl-2-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenamine, N-butyl-2-nitro-. Following Lipinski's Rule of Five, 3-Thiophenamine, N-butyl-2-nitro- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Thiophenamine, N-butyl-2-nitro-?
The CAS number of 3-Thiophenamine, N-butyl-2-nitro- is 122777-61-1.
What is the molecular formula of 3-Thiophenamine, N-butyl-2-nitro-?
The molecular formula of 3-Thiophenamine, N-butyl-2-nitro- is C8H12N2O2S.
What is the molecular weight of 3-Thiophenamine, N-butyl-2-nitro-?
The molecular weight of 3-Thiophenamine, N-butyl-2-nitro- is 200.06195 g/mol.
Where can I buy 3-Thiophenamine, N-butyl-2-nitro-?
You can request a quote for 3-Thiophenamine, N-butyl-2-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Thiophenamine, N-butyl-2-nitro-?
Yes, CoreyChem provides custom synthesis services for 3-Thiophenamine, N-butyl-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.