Aniline, 2,6-dichloro-4-thiocyanato-
TL;DR: Aniline, 2,6-dichloro-4-thiocyanato- (CAS 14030-85-4) is a chemical compound with molecular formula C7H4Cl2N2S and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-amino-3,5-dichlorophenyl) thiocyanate
Also Known As: 2,6-Dichloro-4-thiocyanatoaniline, ANILINE, 2,6-DICHLORO-4-THIOCYANATO-, 4-Amino-3,5-dichlorophenyl thiocyanate, (4-amino-3,5-dichlorophenyl) thiocyanate, Thiocyanic acid, 4-amino-3,5-dichlorophenyl ester
| Molecular Formula | C7H4Cl2N2S |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 75.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.94722 |
| Heavy Atoms | 12 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 14030-85-4 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N)Cl)SC#N |
| InChIKey | VJUNBEHHFKUMHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, 2,6-dichloro-4-thiocyanato- (CAS 14030-85-4), with molecular formula C7H4Cl2N2S and molecular weight 217.95 g/mol. IUPAC: (4-amino-3,5-dichlorophenyl) thiocyanate.
Chemical Property Profile of Aniline, 2,6-dichloro-4-thiocyanato-
Property Insights of Aniline, 2,6-dichloro-4-thiocyanato-
The XLogP value of 3.6 indicates that Aniline, 2,6-dichloro-4-thiocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, 2,6-dichloro-4-thiocyanato-. Following Lipinski's Rule of Five, Aniline, 2,6-dichloro-4-thiocyanato- 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 Aniline, 2,6-dichloro-4-thiocyanato-?
The CAS number of Aniline, 2,6-dichloro-4-thiocyanato- is 14030-85-4.
What is the molecular formula of Aniline, 2,6-dichloro-4-thiocyanato-?
The molecular formula of Aniline, 2,6-dichloro-4-thiocyanato- is C7H4Cl2N2S.
What is the molecular weight of Aniline, 2,6-dichloro-4-thiocyanato-?
The molecular weight of Aniline, 2,6-dichloro-4-thiocyanato- is 217.95 g/mol.
Where can I buy Aniline, 2,6-dichloro-4-thiocyanato-?
You can request a quote for Aniline, 2,6-dichloro-4-thiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, 2,6-dichloro-4-thiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, 2,6-dichloro-4-thiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.