1,5-Naphthalenediyldiisothiocyanate
TL;DR: 1,5-Naphthalenediyldiisothiocyanate (CAS 73825-57-7) is a chemical compound with molecular formula C12H6N2S2 and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-diisothiocyanatonaphthalene
Also Known As: 1,5-Diisothiocyanatonaphthalene, Naphthalene, 1,5-diisothiocyanato-, 1,5-Naphthalenediyldiisothiocyanate, NCIOpen2_007282, Naphthalene,5-diisothiocyanato-
| Molecular Formula | C12H6N2S2 |
|---|---|
| Molecular Weight | 242.00 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.99724 |
| Heavy Atoms | 16 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 73825-57-7 |
|---|---|
| SMILES | C1=CC2=C(C=CC=C2N=C=S)C(=C1)N=C=S |
| InChIKey | GDZKOGLUMKYXSW-UHFFFAOYSA-N |
Product Overview
1,5-Naphthalenediyldiisothiocyanate (CAS 73825-57-7), with molecular formula C12H6N2S2 and molecular weight 242.00 g/mol. IUPAC: 1,5-diisothiocyanatonaphthalene.
Chemical Property Profile of 1,5-Naphthalenediyldiisothiocyanate
Property Insights of 1,5-Naphthalenediyldiisothiocyanate
The XLogP value of 5.7 indicates that 1,5-Naphthalenediyldiisothiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,5-Naphthalenediyldiisothiocyanate. Following Lipinski's Rule of Five, 1,5-Naphthalenediyldiisothiocyanate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Naphthalenediyldiisothiocyanate?
The CAS number of 1,5-Naphthalenediyldiisothiocyanate is 73825-57-7.
What is the molecular formula of 1,5-Naphthalenediyldiisothiocyanate?
The molecular formula of 1,5-Naphthalenediyldiisothiocyanate is C12H6N2S2.
What is the molecular weight of 1,5-Naphthalenediyldiisothiocyanate?
The molecular weight of 1,5-Naphthalenediyldiisothiocyanate is 242.00 g/mol.
Where can I buy 1,5-Naphthalenediyldiisothiocyanate?
You can request a quote for 1,5-Naphthalenediyldiisothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Naphthalenediyldiisothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Naphthalenediyldiisothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.