3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-
TL;DR: 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- (CAS 55833-07-3) is a chemical compound with molecular formula C5H8N2S and molecular weight 128.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethylpyrazole-3-thione
Also Known As: 1,2-dimethylpyrazoline-5-thione, 1,2-dimethylpyrazole-3-thione, 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-, 3H-Pyrazol-3-thione, 1,2-dihydro-1,2-dimethyl-, 1,2-dimethyl-2,3-dihydro-1H-pyrazole-3-thione
| Molecular Formula | C5H8N2S |
|---|---|
| Molecular Weight | 128.04 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.04082 |
| Heavy Atoms | 8 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 55833-07-3 |
|---|---|
| SMILES | CN1C=CC(=S)N1C |
| InChIKey | VYTKZZZIKFVRGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- (CAS 55833-07-3), with molecular formula C5H8N2S and molecular weight 128.04 g/mol. IUPAC: 1,2-dimethylpyrazole-3-thione.
Chemical Property Profile of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-
Property Insights of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-. With a topological polar surface area (TPSA) of 38.6 Ų, 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- has 0 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 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-?
The CAS number of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- is 55833-07-3.
What is the molecular formula of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-?
The molecular formula of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- is C5H8N2S.
What is the molecular weight of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-?
The molecular weight of 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- is 128.04 g/mol.
Where can I buy 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-?
You can request a quote for 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazole-3-thione, 1,2-dihydro-1,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.