2-Methoxy-4-thiocyanatoaniline
TL;DR: 2-Methoxy-4-thiocyanatoaniline (CAS 14372-51-1) is a chemical compound with molecular formula C8H8N2OS and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3-methoxyphenyl) thiocyanate
Also Known As: 2-methoxy-4-thiocyanatoaniline, 2-methoxy-4-thiocyanato-aniline, (4-amino-3-methoxyphenyl) thiocyanate, 4-amino-3-methoxyphenyl thiocyanate, [(4-Amino-3-methoxyphenyl)sulfanyl]formonitrile
| Molecular Formula | C8H8N2OS |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.85058 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.03574 |
| Heavy Atoms | 12 |
| Complexity | 319.32416 |
Chemical Identifiers
| CAS Number | 14372-51-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC#N)N |
Product Overview
2-Methoxy-4-thiocyanatoaniline (CAS 14372-51-1), with molecular formula C8H8N2OS and molecular weight 180.04 g/mol. IUPAC: (4-amino-3-methoxyphenyl) thiocyanate.
Chemical Property Profile of 2-Methoxy-4-thiocyanatoaniline
Property Insights of 2-Methoxy-4-thiocyanatoaniline
The XLogP value of 1.85058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-thiocyanatoaniline. With a topological polar surface area (TPSA) of 59.04 Ų, 2-Methoxy-4-thiocyanatoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-thiocyanatoaniline has 1 hydrogen bond donor(s) and 4 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-Methoxy-4-thiocyanatoaniline?
The CAS number of 2-Methoxy-4-thiocyanatoaniline is 14372-51-1.
What is the molecular formula of 2-Methoxy-4-thiocyanatoaniline?
The molecular formula of 2-Methoxy-4-thiocyanatoaniline is C8H8N2OS.
What is the molecular weight of 2-Methoxy-4-thiocyanatoaniline?
The molecular weight of 2-Methoxy-4-thiocyanatoaniline is 180.04 g/mol.
Where can I buy 2-Methoxy-4-thiocyanatoaniline?
You can request a quote for 2-Methoxy-4-thiocyanatoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-thiocyanatoaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-thiocyanatoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.