Phenol, 4-isothiocyanato-
TL;DR: Phenol, 4-isothiocyanato- (CAS 2131-60-4) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanatophenol
Also Known As: 4-isothiocyanatophenol, Phenol, 4-isothiocyanato-, 4-hydroxyphenylisothiocyanate, 4-Hydroxyphenyl isothiocyanate, p-Isothiocyanatophenol
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2131-60-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C=S)O |
| InChIKey | HIPHYBWWZWRZOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-isothiocyanato- (CAS 2131-60-4), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 4-isothiocyanatophenol.
Chemical Property Profile of Phenol, 4-isothiocyanato-
Property Insights of Phenol, 4-isothiocyanato-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 4-isothiocyanato-. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 4-isothiocyanato-. Following Lipinski's Rule of Five, Phenol, 4-isothiocyanato- 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 Phenol, 4-isothiocyanato-?
The CAS number of Phenol, 4-isothiocyanato- is 2131-60-4.
What is the molecular formula of Phenol, 4-isothiocyanato-?
The molecular formula of Phenol, 4-isothiocyanato- is C7H5NOS.
What is the molecular weight of Phenol, 4-isothiocyanato-?
The molecular weight of Phenol, 4-isothiocyanato- is 151.01 g/mol.
Where can I buy Phenol, 4-isothiocyanato-?
You can request a quote for Phenol, 4-isothiocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-isothiocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-isothiocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.