3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene
TL;DR: 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene (CAS 59776-85-1) is a chemical compound with molecular formula C16H5N7O14S and molecular weight 550.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene
Also Known As: 3-nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene
| Molecular Formula | C16H5N7O14S |
|---|---|
| Molecular Weight | 550.96 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 349.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 2 |
| Exact Mass | 550.96155 |
| Heavy Atoms | 38 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 59776-85-1 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C2=CC(=C(S2)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | DMTYFMCLOWAMIO-UHFFFAOYSA-N |
Product Overview
3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene (CAS 59776-85-1), with molecular formula C16H5N7O14S and molecular weight 550.96 g/mol. IUPAC: 3-nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene.
Chemical Property Profile of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene
Property Insights of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene
The XLogP value of 3.7 indicates that 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 349.0 Ų indicates high polarity, suggesting 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene?
The CAS number of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene is 59776-85-1.
What is the molecular formula of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene?
The molecular formula of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene is C16H5N7O14S.
What is the molecular weight of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene?
The molecular weight of 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene is 550.96 g/mol.
Where can I buy 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene?
You can request a quote for 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-2,5-bis(2,4,6-trinitrophenyl)thiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.