N-methyl-4-thiocyanatoaniline
TL;DR: N-methyl-4-thiocyanatoaniline (CAS 33192-08-4) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(methylamino)phenyl] thiocyanate
Also Known As: N-methyl-4-thiocyanatoaniline, [4-(methylamino)phenyl] thiocyanate, 4-(methylamino)phenyl thiocyanate, 4-Methylaminophenyl thiocyanate, 4-(Methylamino)phenylthio cyanide
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 33192-08-4 |
|---|---|
| SMILES | CNC1=CC=C(C=C1)SC#N |
| InChIKey | LZFNJFRNIKZSTR-UHFFFAOYSA-N |
Product Overview
N-methyl-4-thiocyanatoaniline (CAS 33192-08-4), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: [4-(methylamino)phenyl] thiocyanate.
Chemical Property Profile of N-methyl-4-thiocyanatoaniline
Property Insights of N-methyl-4-thiocyanatoaniline
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-4-thiocyanatoaniline. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-4-thiocyanatoaniline. Following Lipinski's Rule of Five, N-methyl-4-thiocyanatoaniline 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
Frequently Asked Questions
What is the CAS number of N-methyl-4-thiocyanatoaniline?
The CAS number of N-methyl-4-thiocyanatoaniline is 33192-08-4.
What is the molecular formula of N-methyl-4-thiocyanatoaniline?
The molecular formula of N-methyl-4-thiocyanatoaniline is C8H8N2S.
What is the molecular weight of N-methyl-4-thiocyanatoaniline?
The molecular weight of N-methyl-4-thiocyanatoaniline is 164.04 g/mol.
Where can I buy N-methyl-4-thiocyanatoaniline?
You can request a quote for N-methyl-4-thiocyanatoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-4-thiocyanatoaniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-4-thiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.