2-(2-氨乙基二硫代)苯甲酸内盐
TL;DR: 2-(2-氨乙基二硫代)苯甲酸内盐 (CAS 1204-52-0) is a chemical compound with molecular formula C9H11NO2S2 and molecular weight 229.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-氨乙基二硫代)苯甲酸内盐
2-(2-azaniumylethyldisulfanyl)benzoate
Also Known As: 2-(2-Aminoethyldithio)benzoic acid inner salt, 2-(2-azaniumylethyldisulfanyl)benzoate, BENZOIC ACID, 2-(2-AMINOETHYLDITHIO)-, inner salt
| Molecular Formula | C9H11NO2S2 |
|---|---|
| Molecular Weight | 229.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.02312 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 1204-52-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])SSCC[NH3+] |
| InChIKey | MDWMGDVMLUFHTD-UHFFFAOYSA-N |
Product Overview
2-(2-氨乙基二硫代)苯甲酸内盐 (CAS 1204-52-0), with molecular formula C9H11NO2S2 and molecular weight 229.02 g/mol. IUPAC: 2-(2-azaniumylethyldisulfanyl)benzoate.
Chemical Property Profile of 2-(2-氨乙基二硫代)苯甲酸内盐
Property Insights of 2-(2-氨乙基二硫代)苯甲酸内盐
The XLogP value of -0.6 indicates that 2-(2-氨乙基二硫代)苯甲酸内盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-氨乙基二硫代)苯甲酸内盐. Following Lipinski's Rule of Five, 2-(2-氨乙基二硫代)苯甲酸内盐 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
Frequently Asked Questions
What is the CAS number of 2-(2-氨乙基二硫代)苯甲酸内盐?
The CAS number of 2-(2-氨乙基二硫代)苯甲酸内盐 is 1204-52-0.
What is the molecular formula of 2-(2-氨乙基二硫代)苯甲酸内盐?
The molecular formula of 2-(2-氨乙基二硫代)苯甲酸内盐 is C9H11NO2S2.
What is the molecular weight of 2-(2-氨乙基二硫代)苯甲酸内盐?
The molecular weight of 2-(2-氨乙基二硫代)苯甲酸内盐 is 229.02 g/mol.
Where can I buy 2-(2-氨乙基二硫代)苯甲酸内盐?
You can request a quote for 2-(2-氨乙基二硫代)苯甲酸内盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-氨乙基二硫代)苯甲酸内盐?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-氨乙基二硫代)苯甲酸内盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.