(2-Anilinophenyl) thiocyanate
TL;DR: (2-Anilinophenyl) thiocyanate (CAS 15973-81-6) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.05647 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-anilinophenyl) thiocyanate
Also Known As: (2-anilinophenyl) thiocyanate, 2-thiocyanatodiphenylamine, 2-Anilinophenyl thiocyanate, 2-Anilinophenyl thiocyanate #, Thiocyanic acid 2-anilinophenyl ester
Technical Specifications
| Molecular Formula | C13H10N2S |
| Molecular Weight | 226.05647 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05647 Da |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
| SMILES | C1=CC=C(C=C1)NC2=CC=CC=C2SC#N |
| InChIKey | CMJVGJCIBWJCTK-UHFFFAOYSA-N |
Chemical Property Profile of (2-Anilinophenyl) thiocyanate
Property Insights of (2-Anilinophenyl) thiocyanate
The XLogP value of 4.0 indicates that (2-Anilinophenyl) thiocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Anilinophenyl) thiocyanate. Following Lipinski's Rule of Five, (2-Anilinophenyl) thiocyanate has 1 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-Anilinophenyl) thiocyanate?
The CAS number of (2-Anilinophenyl) thiocyanate is 15973-81-6.
What is the molecular formula of (2-Anilinophenyl) thiocyanate?
The molecular formula of (2-Anilinophenyl) thiocyanate is C13H10N2S.
What is the molecular weight of (2-Anilinophenyl) thiocyanate?
The molecular weight of (2-Anilinophenyl) thiocyanate is 226.05647 g/mol.
Where can I buy (2-Anilinophenyl) thiocyanate?
You can request a quote for (2-Anilinophenyl) thiocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Anilinophenyl) thiocyanate?
Yes, CoreyChem provides custom synthesis services for (2-Anilinophenyl) thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.