1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea
TL;DR: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea (CAS 673855-17-9) is a chemical compound with molecular formula C12H14N4S and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea
Also Known As: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea, N-(3,5-dimethyl-1H-pyrazol-4-yl)-N'-phenylthiourea, N-phenyl-N'-(3,5-dimethylpyrazole-4yl)thiourea, AN-465/40769708, N-Phenyl-N'(3,5-dimethyl-pyrazole-4-yl)thiourea
| Molecular Formula | C12H14N4S |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.83544 |
| Topological Polar Surface Area | 52.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.09392 |
| Heavy Atoms | 17 |
| Complexity | 499.05682 |
Chemical Identifiers
| CAS Number | 673855-17-9 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)NC(=S)NC2=CC=CC=C2 |
Product Overview
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea (CAS 673855-17-9), with molecular formula C12H14N4S and molecular weight 246.09 g/mol. IUPAC: 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea.
Chemical Property Profile of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea
Property Insights of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea
The XLogP value of 2.83544 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea. With a topological polar surface area (TPSA) of 52.74 Ų, 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea has 3 hydrogen bond donor(s) and 2 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 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea?
The CAS number of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea is 673855-17-9.
What is the molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea?
The molecular formula of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea is C12H14N4S.
What is the molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea?
The molecular weight of 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea is 246.09 g/mol.
Where can I buy 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea?
You can request a quote for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.