Benzoic acid, 2,2'-thiobis[5-nitro-
TL;DR: Benzoic acid, 2,2'-thiobis[5-nitro- (CAS 74053-22-8) is a chemical compound with molecular formula C14H8N2O8S and molecular weight 364.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxy-4-nitrophenyl)sulfanyl-5-nitrobenzoic acid
Also Known As: Maybridge1_006287, Benzoic acid, 2,2'-thiobis[5-nitro-, p-nitro-o-carboxyphenylthio ether, 2-(2-carboxy-4-nitrophenyl)sulfanyl-5-nitrobenzoic acid, 2,2'-Sulfanediylbis(5-nitrobenzoic acid)
| Molecular Formula | C14H8N2O8S |
|---|---|
| Molecular Weight | 364.00 g/mol |
| LogP | 3.0506 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.00012 |
| Heavy Atoms | 25 |
| Complexity | 838.1999 |
Chemical Identifiers
| CAS Number | 74053-22-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
Benzoic acid, 2,2'-thiobis[5-nitro- (CAS 74053-22-8), with molecular formula C14H8N2O8S and molecular weight 364.00 g/mol. IUPAC: 2-(2-carboxy-4-nitrophenyl)sulfanyl-5-nitrobenzoic acid.
Chemical Property Profile of Benzoic acid, 2,2'-thiobis[5-nitro-
Property Insights of Benzoic acid, 2,2'-thiobis[5-nitro-
The XLogP value of 3.0506 indicates that Benzoic acid, 2,2'-thiobis[5-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.88 Ų indicates high polarity, suggesting Benzoic acid, 2,2'-thiobis[5-nitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-thiobis[5-nitro- 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2,2'-thiobis[5-nitro-?
The CAS number of Benzoic acid, 2,2'-thiobis[5-nitro- is 74053-22-8.
What is the molecular formula of Benzoic acid, 2,2'-thiobis[5-nitro-?
The molecular formula of Benzoic acid, 2,2'-thiobis[5-nitro- is C14H8N2O8S.
What is the molecular weight of Benzoic acid, 2,2'-thiobis[5-nitro-?
The molecular weight of Benzoic acid, 2,2'-thiobis[5-nitro- is 364.00 g/mol.
Where can I buy Benzoic acid, 2,2'-thiobis[5-nitro-?
You can request a quote for Benzoic acid, 2,2'-thiobis[5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,2'-thiobis[5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-thiobis[5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.