4-(1H-Pyrazol-1-yl)phenyl isothiocyanate
TL;DR: 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate (CAS 352018-96-3) is a chemical compound with molecular formula C10H7N3S and molecular weight 201.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-isothiocyanatophenyl)pyrazole
Also Known As: 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate, 1-(4-isothiocyanatophenyl)pyrazole, 4-(1H-pyrazol-1-yl)phenylisothiocyanate, 1-(4-isothiocyanatophenyl)-1H-pyrazole, 4-pyrazolylbenzenisothiocyanate
| Molecular Formula | C10H7N3S |
|---|---|
| Molecular Weight | 201.04 g/mol |
| LogP | 2.6066 |
| Topological Polar Surface Area | 30.18 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.03607 |
| Heavy Atoms | 14 |
| Complexity | 452.62216 |
Chemical Identifiers
| CAS Number | 352018-96-3 |
|---|---|
| SMILES | C1=CN(N=C1)C2=CC=C(C=C2)N=C=S |
Product Overview
4-(1H-Pyrazol-1-yl)phenyl isothiocyanate (CAS 352018-96-3), with molecular formula C10H7N3S and molecular weight 201.04 g/mol. IUPAC: 1-(4-isothiocyanatophenyl)pyrazole.
Chemical Property Profile of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate
Property Insights of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate
The XLogP value of 2.6066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate. With a topological polar surface area (TPSA) of 30.18 Ų, 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate has 0 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-(1H-Pyrazol-1-yl)phenyl isothiocyanate?
The CAS number of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate is 352018-96-3.
What is the molecular formula of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate?
The molecular formula of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate is C10H7N3S.
What is the molecular weight of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate?
The molecular weight of 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate is 201.04 g/mol.
Where can I buy 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate?
You can request a quote for 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-Pyrazol-1-yl)phenyl isothiocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.