2-羟基-5-(硫氰酸甲基)苯甲酸
TL;DR: 2-羟基-5-(硫氰酸甲基)苯甲酸 (CAS 5435-62-1) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-羟基-5-(硫氰酸甲基)苯甲酸
2-hydroxy-5-(thiocyanatomethyl)benzoic acid
Also Known As: 2, .alpha.-thiocyanato-, 2-hydroxy-5-(thiocyanatomethyl)benzoic acid, PENTACHLOROPHENYL PROPIONATE, Benzoic acid, 2-hydroxy-5-(thiocyanatomethyl)-, 2,5-Cresotic acid, .
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 5435-62-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CSC#N)C(=O)O)O |
| InChIKey | NLGOHSDNHHRIEA-UHFFFAOYSA-N |
Product Overview
2-羟基-5-(硫氰酸甲基)苯甲酸 (CAS 5435-62-1), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 2-hydroxy-5-(thiocyanatomethyl)benzoic acid.
Chemical Property Profile of 2-羟基-5-(硫氰酸甲基)苯甲酸
Property Insights of 2-羟基-5-(硫氰酸甲基)苯甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-羟基-5-(硫氰酸甲基)苯甲酸. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-羟基-5-(硫氰酸甲基)苯甲酸. Following Lipinski's Rule of Five, 2-羟基-5-(硫氰酸甲基)苯甲酸 has 2 hydrogen bond donor(s) and 5 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-羟基-5-(硫氰酸甲基)苯甲酸?
The CAS number of 2-羟基-5-(硫氰酸甲基)苯甲酸 is 5435-62-1.
What is the molecular formula of 2-羟基-5-(硫氰酸甲基)苯甲酸?
The molecular formula of 2-羟基-5-(硫氰酸甲基)苯甲酸 is C9H7NO3S.
What is the molecular weight of 2-羟基-5-(硫氰酸甲基)苯甲酸?
The molecular weight of 2-羟基-5-(硫氰酸甲基)苯甲酸 is 209.01 g/mol.
Where can I buy 2-羟基-5-(硫氰酸甲基)苯甲酸?
You can request a quote for 2-羟基-5-(硫氰酸甲基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-羟基-5-(硫氰酸甲基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-羟基-5-(硫氰酸甲基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.