2-Amino-5-isothiocyanatobenzoic acid
TL;DR: 2-Amino-5-isothiocyanatobenzoic acid (CAS 649549-95-1) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-isothiocyanatobenzoic acid
Also Known As: 2-amino-5-isothiocyanatobenzoic acid, 2-amino-5-isothiocyanato-benzoic Acid, Benzoicacid,2-amino-5-isothiocyanato-, BENZOIC ACID, 2-AMINO-5-ISOTHIOCYANATO-, Benzoic acid, 2-amino-5-isothiocyanato- (9CI)
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.7013 |
| Topological Polar Surface Area | 75.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 397.13055 |
Chemical Identifiers
| CAS Number | 649549-95-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=C=S)C(=O)O)N |
Product Overview
2-Amino-5-isothiocyanatobenzoic acid (CAS 649549-95-1), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-amino-5-isothiocyanatobenzoic acid.
Chemical Property Profile of 2-Amino-5-isothiocyanatobenzoic acid
Property Insights of 2-Amino-5-isothiocyanatobenzoic acid
The XLogP value of 1.7013 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-5-isothiocyanatobenzoic acid. The TPSA of 75.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-isothiocyanatobenzoic acid. Following Lipinski's Rule of Five, 2-Amino-5-isothiocyanatobenzoic acid has 2 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-Amino-5-isothiocyanatobenzoic acid?
The CAS number of 2-Amino-5-isothiocyanatobenzoic acid is 649549-95-1.
What is the molecular formula of 2-Amino-5-isothiocyanatobenzoic acid?
The molecular formula of 2-Amino-5-isothiocyanatobenzoic acid is C8H6N2O2S.
What is the molecular weight of 2-Amino-5-isothiocyanatobenzoic acid?
The molecular weight of 2-Amino-5-isothiocyanatobenzoic acid is 194.01 g/mol.
Where can I buy 2-Amino-5-isothiocyanatobenzoic acid?
You can request a quote for 2-Amino-5-isothiocyanatobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-isothiocyanatobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-isothiocyanatobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.