4-Isothiocyanodiphenyl amine
TL;DR: 4-Isothiocyanodiphenyl amine (CAS 23246-36-8) is a chemical compound with molecular formula C13H10N2S and molecular weight 226.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-N-phenylaniline
Also Known As: 4-isothiocyanato-N-phenylaniline, (4-isothiocyanatophenyl)phenylamine, 4-isothiocyanodiphenyl amine, 4-Isothiocyano-diphenylamin, 4-Anilinophenyl isothiocyanate
| Molecular Formula | C13H10N2S |
|---|---|
| Molecular Weight | 226.06 g/mol |
| LogP | 4.1645 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.05647 |
| Heavy Atoms | 16 |
| Complexity | 499.2156 |
Chemical Identifiers
| CAS Number | 23246-36-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C=S |
Product Overview
4-Isothiocyanodiphenyl amine (CAS 23246-36-8), with molecular formula C13H10N2S and molecular weight 226.06 g/mol. IUPAC: 4-isothiocyanato-N-phenylaniline.
Chemical Property Profile of 4-Isothiocyanodiphenyl amine
Property Insights of 4-Isothiocyanodiphenyl amine
The XLogP value of 4.1645 indicates that 4-Isothiocyanodiphenyl amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.39 Ų, 4-Isothiocyanodiphenyl amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isothiocyanodiphenyl amine 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-Isothiocyanodiphenyl amine?
The CAS number of 4-Isothiocyanodiphenyl amine is 23246-36-8.
What is the molecular formula of 4-Isothiocyanodiphenyl amine?
The molecular formula of 4-Isothiocyanodiphenyl amine is C13H10N2S.
What is the molecular weight of 4-Isothiocyanodiphenyl amine?
The molecular weight of 4-Isothiocyanodiphenyl amine is 226.06 g/mol.
Where can I buy 4-Isothiocyanodiphenyl amine?
You can request a quote for 4-Isothiocyanodiphenyl amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isothiocyanodiphenyl amine?
Yes, KEHONG BIO provides custom synthesis services for 4-Isothiocyanodiphenyl amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.