2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid
TL;DR: 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid (CAS 130749-30-3) is a chemical compound with molecular formula C12H9NO2S and molecular weight 231.0354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(naphthalen-1-ylamino)-2-sulfanylideneacetic acid
Also Known As: 1-Naphthylaminothioxoacetic Acid, (1-Naphthylamino)thioxoacetic acid, Naphthalen-1-ylthiocarbamoylformic Acid, [(naphthalen-1-yl)carbamothioyl]formic acid, 2-(naphthalen-1-ylamino)-2-sulfanylideneacetic acid
Technical Specifications
| Molecular Formula | C12H9NO2S |
| Molecular Weight | 231.0354 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0354 Da |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=S)C(=O)O |
| InChIKey | BGQZQKIAOWXDMD-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid
Property Insights of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid. Following Lipinski's Rule of Five, 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid 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
What is the CAS number of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid?
The CAS number of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid is 130749-30-3.
What is the molecular formula of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid?
The molecular formula of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid is C12H9NO2S.
What is the molecular weight of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid?
The molecular weight of 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid is 231.0354 g/mol.
Where can I buy 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid?
You can request a quote for 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Naphthalen-1-ylamino)-2-sulfanylideneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.