4-Amino-3,5-dimethylphenyl thiocyanate
TL;DR: 4-Amino-3,5-dimethylphenyl thiocyanate (CAS 14031-02-8) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3,5-dimethylphenyl) thiocyanate
Also Known As: 4-amino-3,5-dimethylphenyl thiocyanate, 2,6-Dimethyl-4-thiocyanatoaniline, (4-amino-3,5-dimethylphenyl) thiocyanate, [(4-amino-3,5-dimethylphenyl)sulfanyl]formonitrile, Thiocyanic acid, 4-amino-3,5-dimethylphenyl ester
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.45882 |
| Topological Polar Surface Area | 49.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 315.86716 |
Chemical Identifiers
| CAS Number | 14031-02-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1N)C)SC#N |
Product Overview
4-Amino-3,5-dimethylphenyl thiocyanate (CAS 14031-02-8), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: (4-amino-3,5-dimethylphenyl) thiocyanate.
Chemical Property Profile of 4-Amino-3,5-dimethylphenyl thiocyanate
Property Insights of 4-Amino-3,5-dimethylphenyl thiocyanate
The XLogP value of 2.45882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3,5-dimethylphenyl thiocyanate. With a topological polar surface area (TPSA) of 49.81 Ų, 4-Amino-3,5-dimethylphenyl thiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-3,5-dimethylphenyl 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
Frequently Asked Questions
What is the CAS number of 4-Amino-3,5-dimethylphenyl thiocyanate?
The CAS number of 4-Amino-3,5-dimethylphenyl thiocyanate is 14031-02-8.
What is the molecular formula of 4-Amino-3,5-dimethylphenyl thiocyanate?
The molecular formula of 4-Amino-3,5-dimethylphenyl thiocyanate is C9H10N2S.
What is the molecular weight of 4-Amino-3,5-dimethylphenyl thiocyanate?
The molecular weight of 4-Amino-3,5-dimethylphenyl thiocyanate is 178.06 g/mol.
Where can I buy 4-Amino-3,5-dimethylphenyl thiocyanate?
You can request a quote for 4-Amino-3,5-dimethylphenyl thiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3,5-dimethylphenyl thiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3,5-dimethylphenyl thiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.