(5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione
TL;DR: (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione (CAS 80857-68-7) is a chemical compound with molecular formula C12H14N2OS and molecular weight 234.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanethione
Also Known As: LTTLECARTGXYAT-UHFFFAOYSA-, BAS 01967832, BIM-0008997.P001, (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanethione, 3,5-dimethyl-1-(phenylthioxomethyl)-2-pyrazolin-5-ol
| Molecular Formula | C12H14N2OS |
|---|---|
| Molecular Weight | 234.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.08269 |
| Heavy Atoms | 16 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 80857-68-7 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=S)C2=CC=CC=C2 |
| InChIKey | LTTLECARTGXYAT-UHFFFAOYSA-N |
Product Overview
(5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione (CAS 80857-68-7), with molecular formula C12H14N2OS and molecular weight 234.08 g/mol. IUPAC: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-phenylmethanethione.
Chemical Property Profile of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione
Property Insights of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione. Following Lipinski's Rule of Five, (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione 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 (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione?
The CAS number of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione is 80857-68-7.
What is the molecular formula of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione?
The molecular formula of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione is C12H14N2OS.
What is the molecular weight of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione?
The molecular weight of (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione is 234.08 g/mol.
Where can I buy (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione?
You can request a quote for (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione?
Yes, KEHONG BIO provides custom synthesis services for (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-phenyl-methanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.