![Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- structure](/static/products/6277/62773-58-4.webp)
Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-
TL;DR: Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- (CAS 62773-58-4) is a chemical compound with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-(methylcarbamothioylamino)benzoic acid
Also Known As: 2-hydroxy-5-(methylcarbamothioylamino)benzoic acid, 2-hydroxy-5-(3-methylthioureido)benzoic acid, 2-hydroxy-5-(methylthiocarbamoylamino)benzoic Acid, Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-, 2-hydroxy-5-{[(methylamino)thioxomethyl]amino}benzoic acid
| Molecular Formula | C9H10N2O3S |
|---|---|
| Molecular Weight | 226.04 g/mol |
| LogP | 1.0066 |
| Topological Polar Surface Area | 81.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.04121 |
| Heavy Atoms | 15 |
| Complexity | 406.34396 |
Chemical Identifiers
| CAS Number | 62773-58-4 |
|---|---|
| SMILES | CNC(=S)NC1=CC(=C(C=C1)O)C(=O)O |
Product Overview
Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- (CAS 62773-58-4), with molecular formula C9H10N2O3S and molecular weight 226.04 g/mol. IUPAC: 2-hydroxy-5-(methylcarbamothioylamino)benzoic acid.
Chemical Property Profile of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-
Property Insights of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-
The XLogP value of 1.0066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-. The TPSA of 81.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-. Following Lipinski's Rule of Five, Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- has 4 hydrogen bond donor(s) and 3 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-hydroxy-5-[[(methylamino)thioxomethyl]amino]-?
The CAS number of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- is 62773-58-4.
What is the molecular formula of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-?
The molecular formula of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- is C9H10N2O3S.
What is the molecular weight of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-?
The molecular weight of Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- is 226.04 g/mol.
Where can I buy Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]-?
You can request a quote for Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- 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-hydroxy-5-[[(methylamino)thioxomethyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-hydroxy-5-[[(methylamino)thioxomethyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.