4-Isothiocyanatoaniline
TL;DR: 4-Isothiocyanatoaniline (CAS 15191-25-0) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.02516 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-isothiocyanatoaniline
Also Known As: 4-Isothiocyanatoaniline, p-isothiocyanoaniline, 4-isothiocyanato-aniline, 4-Isothiocyanatobenzenamine, EINECS 239-249-7
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2S |
| Molecular Weight | 150.02516 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.02516 Da |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
| SMILES | C1=CC(=CC=C1N)N=C=S |
| InChIKey | SBABYCHYIKHAAW-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isothiocyanatoaniline
Property Insights of 4-Isothiocyanatoaniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isothiocyanatoaniline. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Isothiocyanatoaniline. Following Lipinski's Rule of Five, 4-Isothiocyanatoaniline 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 4-Isothiocyanatoaniline?
The CAS number of 4-Isothiocyanatoaniline is 15191-25-0.
What is the molecular formula of 4-Isothiocyanatoaniline?
The molecular formula of 4-Isothiocyanatoaniline is C7H6N2S.
What is the molecular weight of 4-Isothiocyanatoaniline?
The molecular weight of 4-Isothiocyanatoaniline is 150.02516 g/mol.
Where can I buy 4-Isothiocyanatoaniline?
You can request a quote for 4-Isothiocyanatoaniline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isothiocyanatoaniline?
Yes, CoreyChem provides custom synthesis services for 4-Isothiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.