硫代马尿酸
TL;DR: 硫代马尿酸 (CAS 6330-48-9) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代马尿酸
2-benzamidoethanethioic S-acid
Also Known As: Thiohippuric acid, Hippuric acid, thio-, (Benzoylamino)ethanethioic acid, HIPPURIC ACID, 1-THIO-, Ethanethioic acid, (benzoylamino)-
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 47.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 6330-48-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NCC(=O)S |
| InChIKey | DNGNKJUEEPHJFU-UHFFFAOYSA-N |
Product Overview
硫代马尿酸 (CAS 6330-48-9), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: 2-benzamidoethanethioic S-acid.
Chemical Property Profile of 硫代马尿酸
Property Insights of 硫代马尿酸
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代马尿酸. With a topological polar surface area (TPSA) of 47.2 Ų, 硫代马尿酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代马尿酸 has 2 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 硫代马尿酸?
The CAS number of 硫代马尿酸 is 6330-48-9.
What is the molecular formula of 硫代马尿酸?
The molecular formula of 硫代马尿酸 is C9H9NO2S.
What is the molecular weight of 硫代马尿酸?
The molecular weight of 硫代马尿酸 is 195.04 g/mol.
Where can I buy 硫代马尿酸?
You can request a quote for 硫代马尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代马尿酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代马尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.