1-Naphthylcarbamodithioic acid
TL;DR: 1-Naphthylcarbamodithioic acid (CAS 15866-95-2) is a chemical compound with molecular formula C11H9NS2 and molecular weight 219.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-1-ylcarbamodithioic acid
Also Known As: (1-Naphthyl)dithiocarbamic acid, 1-Naphthylcarbamodithioic acid, naphthalen-1-ylcarbamodithioic acid, Naphthalen-1-ylcarbonimidodithioic acid, (naphthalen-1-ylamino)methanedithioic acid
| Molecular Formula | C11H9NS2 |
|---|---|
| Molecular Weight | 219.02 g/mol |
| LogP | 3.4664 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.01764 |
| Heavy Atoms | 14 |
| Complexity | 474.17615 |
Chemical Identifiers
| CAS Number | 15866-95-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2NC(=S)S |
Product Overview
1-Naphthylcarbamodithioic acid (CAS 15866-95-2), with molecular formula C11H9NS2 and molecular weight 219.02 g/mol. IUPAC: naphthalen-1-ylcarbamodithioic acid.
Chemical Property Profile of 1-Naphthylcarbamodithioic acid
Property Insights of 1-Naphthylcarbamodithioic acid
The XLogP value of 3.4664 indicates that 1-Naphthylcarbamodithioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 1-Naphthylcarbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Naphthylcarbamodithioic acid has 2 hydrogen bond donor(s) and 1 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 1-Naphthylcarbamodithioic acid?
The CAS number of 1-Naphthylcarbamodithioic acid is 15866-95-2.
What is the molecular formula of 1-Naphthylcarbamodithioic acid?
The molecular formula of 1-Naphthylcarbamodithioic acid is C11H9NS2.
What is the molecular weight of 1-Naphthylcarbamodithioic acid?
The molecular weight of 1-Naphthylcarbamodithioic acid is 219.02 g/mol.
Where can I buy 1-Naphthylcarbamodithioic acid?
You can request a quote for 1-Naphthylcarbamodithioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Naphthylcarbamodithioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Naphthylcarbamodithioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.