3,4,5-trimethyl-1H-pyrazole-1-carbothioamide
TL;DR: 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide (CAS 117134-80-2) is a chemical compound with molecular formula C7H11N3S and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethylpyrazole-1-carbothioamide
Also Known As: 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide, 3,4,5-trimethylpyrazole-1-carbothioamide, trimethyl-1H-pyrazole-1-carbothioamide, 1H-Pyrazole-1-carbothioamide,3,4,5-trimethyl-(9CI), amino(3,4,5-trimethylpyrazolyl)methane-1-thione
| Molecular Formula | C7H11N3S |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.90006 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.06737 |
| Heavy Atoms | 11 |
| Complexity | 300.8795 |
Chemical Identifiers
| CAS Number | 117134-80-2 |
|---|---|
| SMILES | CC1=C(N(N=C1C)C(=S)N)C |
Product Overview
3,4,5-trimethyl-1H-pyrazole-1-carbothioamide (CAS 117134-80-2), with molecular formula C7H11N3S and molecular weight 169.07 g/mol. IUPAC: 3,4,5-trimethylpyrazole-1-carbothioamide.
Chemical Property Profile of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide
Property Insights of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide
The XLogP value of 0.90006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide has 1 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 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide?
The CAS number of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide is 117134-80-2.
What is the molecular formula of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide?
The molecular formula of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide is C7H11N3S.
What is the molecular weight of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide?
The molecular weight of 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide is 169.07 g/mol.
Where can I buy 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide?
You can request a quote for 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5-trimethyl-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.