4-Amino-3-thiocyanatobenzoic acid
TL;DR: 4-Amino-3-thiocyanatobenzoic acid (CAS 18330-64-8) 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.
4-amino-3-thiocyanatobenzoic acid
Also Known As: 4-amino-3-thiocyanatobenzoic acid, 4-amino-3-cyanothiobenzoic acid, 4-amino-3-thiocyanato-benzoic Acid
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.54018 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 384.22067 |
Chemical Identifiers
| CAS Number | 18330-64-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)SC#N)N |
Product Overview
4-Amino-3-thiocyanatobenzoic acid (CAS 18330-64-8), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 4-amino-3-thiocyanatobenzoic acid.
Chemical Property Profile of 4-Amino-3-thiocyanatobenzoic acid
Property Insights of 4-Amino-3-thiocyanatobenzoic acid
The XLogP value of 1.54018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-thiocyanatobenzoic acid. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-thiocyanatobenzoic acid. Following Lipinski's Rule of Five, 4-Amino-3-thiocyanatobenzoic 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 4-Amino-3-thiocyanatobenzoic acid?
The CAS number of 4-Amino-3-thiocyanatobenzoic acid is 18330-64-8.
What is the molecular formula of 4-Amino-3-thiocyanatobenzoic acid?
The molecular formula of 4-Amino-3-thiocyanatobenzoic acid is C8H6N2O2S.
What is the molecular weight of 4-Amino-3-thiocyanatobenzoic acid?
The molecular weight of 4-Amino-3-thiocyanatobenzoic acid is 194.01 g/mol.
Where can I buy 4-Amino-3-thiocyanatobenzoic acid?
You can request a quote for 4-Amino-3-thiocyanatobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-thiocyanatobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-thiocyanatobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.