2-Naphthylthioacetonitrile
TL;DR: 2-Naphthylthioacetonitrile (CAS 574-77-6) is a chemical compound with molecular formula C12H9NS and molecular weight 199.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-naphthalen-2-ylsulfanylacetonitrile
Also Known As: 2-Naphthylthioacetonitrile, 2-(2-naphthylthio)acetonitrile, 2-naphthalen-2-ylsulfanylacetonitrile, Maybridge1_004490, 2-(Naphthalen-2-ylthio)acetonitrile
| Molecular Formula | C12H9NS |
|---|---|
| Molecular Weight | 199.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04558 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 574-77-6 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)SCC#N |
| InChIKey | PFMHSJMACRLMEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Naphthylthioacetonitrile (CAS 574-77-6), with molecular formula C12H9NS and molecular weight 199.05 g/mol. IUPAC: 2-naphthalen-2-ylsulfanylacetonitrile.
Chemical Property Profile of 2-Naphthylthioacetonitrile
Property Insights of 2-Naphthylthioacetonitrile
The XLogP value of 3.8 indicates that 2-Naphthylthioacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 2-Naphthylthioacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Naphthylthioacetonitrile has 0 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-Naphthylthioacetonitrile?
The CAS number of 2-Naphthylthioacetonitrile is 574-77-6.
What is the molecular formula of 2-Naphthylthioacetonitrile?
The molecular formula of 2-Naphthylthioacetonitrile is C12H9NS.
What is the molecular weight of 2-Naphthylthioacetonitrile?
The molecular weight of 2-Naphthylthioacetonitrile is 199.05 g/mol.
Where can I buy 2-Naphthylthioacetonitrile?
You can request a quote for 2-Naphthylthioacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Naphthylthioacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Naphthylthioacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.