Propanedioic acid, (5-nitro-3-thienyl)-
TL;DR: Propanedioic acid, (5-nitro-3-thienyl)- (CAS 104554-66-7) is a chemical compound with molecular formula C7H5NO6S and molecular weight 230.98376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-nitrothiophen-3-yl)propanedioic acid
Also Known As: NTMA, 5-Nitro-3-thiophemalonic acid, Propanedioic acid, (5-nitro-3-thienyl)-, (5-Nitro-3-thienyl)propanedioic acid, 2-(5-nitrothiophen-3-yl)propanedioic acid
Technical Specifications
| Molecular Formula | C7H5NO6S |
| Molecular Weight | 230.98376 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.98376 Da |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
| SMILES | C1=C(SC=C1C(C(=O)O)C(=O)O)[N+](=O)[O-] |
| InChIKey | JDLQLJDEOAKSCD-UHFFFAOYSA-N |
Chemical Property Profile of Propanedioic acid, (5-nitro-3-thienyl)-
Property Insights of Propanedioic acid, (5-nitro-3-thienyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedioic acid, (5-nitro-3-thienyl)-. The TPSA of 149.0 Ų indicates high polarity, suggesting Propanedioic acid, (5-nitro-3-thienyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanedioic acid, (5-nitro-3-thienyl)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Propanedioic acid, (5-nitro-3-thienyl)-?
The CAS number of Propanedioic acid, (5-nitro-3-thienyl)- is 104554-66-7.
What is the molecular formula of Propanedioic acid, (5-nitro-3-thienyl)-?
The molecular formula of Propanedioic acid, (5-nitro-3-thienyl)- is C7H5NO6S.
What is the molecular weight of Propanedioic acid, (5-nitro-3-thienyl)-?
The molecular weight of Propanedioic acid, (5-nitro-3-thienyl)- is 230.98376 g/mol.
Where can I buy Propanedioic acid, (5-nitro-3-thienyl)-?
You can request a quote for Propanedioic acid, (5-nitro-3-thienyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedioic acid, (5-nitro-3-thienyl)-?
Yes, CoreyChem provides custom synthesis services for Propanedioic acid, (5-nitro-3-thienyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.