3-Isothiocyanatophenol
TL;DR: 3-Isothiocyanatophenol (CAS 3125-63-1) 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.
3-isothiocyanatophenol
Also Known As: 3-isothiocyanatophenol, Phenol,3-isothiocyanato-, 3-Oxy-phenylsenfoel, 3-HYDROXYPHENYLISOTHIOCYANATE, Phenol, 3-isothiocyanato-
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 2.1265 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 278.6895 |
Chemical Identifiers
| CAS Number | 3125-63-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)N=C=S |
Product Overview
3-Isothiocyanatophenol (CAS 3125-63-1), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 3-isothiocyanatophenol.
Chemical Property Profile of 3-Isothiocyanatophenol
Property Insights of 3-Isothiocyanatophenol
The XLogP value of 2.1265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isothiocyanatophenol. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Isothiocyanatophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isothiocyanatophenol 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 3-Isothiocyanatophenol?
The CAS number of 3-Isothiocyanatophenol is 3125-63-1.
What is the molecular formula of 3-Isothiocyanatophenol?
The molecular formula of 3-Isothiocyanatophenol is C7H5NOS.
What is the molecular weight of 3-Isothiocyanatophenol?
The molecular weight of 3-Isothiocyanatophenol is 151.01 g/mol.
Where can I buy 3-Isothiocyanatophenol?
You can request a quote for 3-Isothiocyanatophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isothiocyanatophenol?
Yes, KEHONG BIO provides custom synthesis services for 3-Isothiocyanatophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.