1-Amino-2,4-naphthalenedithiocyanate
TL;DR: 1-Amino-2,4-naphthalenedithiocyanate (CAS 91353-98-9) is a chemical compound with molecular formula C12H7N3S2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-4-thiocyanatonaphthalen-2-yl) thiocyanate
Also Known As: 2,4-Dithiocyanatonaphthalen-1-amine, 2,4-bis-thiocyanato-[1]naphthylamine, 1-AMINO-2,4-NAPHTHALENEDITHIOCYANATE, (1-amino-4-thiocyanatonaphthalen-2-yl) thiocyanate, 1-AMINO-2,4-THIOCYANATONAPHTHYLENE
| Molecular Formula | C12H7N3S2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.00815 |
| Heavy Atoms | 17 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 91353-98-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2N)SC#N)SC#N |
| InChIKey | MUJSUITXGNCDIS-UHFFFAOYSA-N |
Product Overview
1-Amino-2,4-naphthalenedithiocyanate (CAS 91353-98-9), with molecular formula C12H7N3S2 and molecular weight 257.01 g/mol. IUPAC: (1-amino-4-thiocyanatonaphthalen-2-yl) thiocyanate.
Chemical Property Profile of 1-Amino-2,4-naphthalenedithiocyanate
Property Insights of 1-Amino-2,4-naphthalenedithiocyanate
The XLogP value of 3.6 indicates that 1-Amino-2,4-naphthalenedithiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2,4-naphthalenedithiocyanate. Following Lipinski's Rule of Five, 1-Amino-2,4-naphthalenedithiocyanate has 1 hydrogen bond donor(s) and 5 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-Amino-2,4-naphthalenedithiocyanate?
The CAS number of 1-Amino-2,4-naphthalenedithiocyanate is 91353-98-9.
What is the molecular formula of 1-Amino-2,4-naphthalenedithiocyanate?
The molecular formula of 1-Amino-2,4-naphthalenedithiocyanate is C12H7N3S2.
What is the molecular weight of 1-Amino-2,4-naphthalenedithiocyanate?
The molecular weight of 1-Amino-2,4-naphthalenedithiocyanate is 257.01 g/mol.
Where can I buy 1-Amino-2,4-naphthalenedithiocyanate?
You can request a quote for 1-Amino-2,4-naphthalenedithiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-2,4-naphthalenedithiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-2,4-naphthalenedithiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.