2-Anilino-2-sulfanylideneacetic acid
TL;DR: 2-Anilino-2-sulfanylideneacetic acid (CAS 6890-75-1) is a chemical compound with molecular formula C8H7NO2S and molecular weight 181.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-anilino-2-sulfanylideneacetic acid
Also Known As: Anilinothioxoacetic acid, anilino(thioxo)acetic acid, (phenylcarbamothioyl)formic acid, Phenylthiocarbamoylformic Acid, 2-anilino-2-sulfanylideneacetic acid
| Molecular Formula | C8H7NO2S |
|---|---|
| Molecular Weight | 181.02 g/mol |
| LogP | 1.5105 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.01974 |
| Heavy Atoms | 12 |
| Complexity | 297.18597 |
Chemical Identifiers
| CAS Number | 6890-75-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C(=O)O |
Product Overview
2-Anilino-2-sulfanylideneacetic acid (CAS 6890-75-1), with molecular formula C8H7NO2S and molecular weight 181.02 g/mol. IUPAC: 2-anilino-2-sulfanylideneacetic acid.
Chemical Property Profile of 2-Anilino-2-sulfanylideneacetic acid
Property Insights of 2-Anilino-2-sulfanylideneacetic acid
The XLogP value of 1.5105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Anilino-2-sulfanylideneacetic acid. With a topological polar surface area (TPSA) of 49.33 Ų, 2-Anilino-2-sulfanylideneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-2-sulfanylideneacetic acid has 2 hydrogen bond donor(s) and 2 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-Anilino-2-sulfanylideneacetic acid?
The CAS number of 2-Anilino-2-sulfanylideneacetic acid is 6890-75-1.
What is the molecular formula of 2-Anilino-2-sulfanylideneacetic acid?
The molecular formula of 2-Anilino-2-sulfanylideneacetic acid is C8H7NO2S.
What is the molecular weight of 2-Anilino-2-sulfanylideneacetic acid?
The molecular weight of 2-Anilino-2-sulfanylideneacetic acid is 181.02 g/mol.
Where can I buy 2-Anilino-2-sulfanylideneacetic acid?
You can request a quote for 2-Anilino-2-sulfanylideneacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-2-sulfanylideneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-2-sulfanylideneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.