3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide
TL;DR: 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide (CAS 956958-75-1) is a chemical compound with molecular formula C8H13N3S and molecular weight 183.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,5-dimethylpyrazol-1-yl)propanethioamide
Also Known As: 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide, 3-(3,5-dimethylpyrazol-1-yl)propanethioamide, 1-amino-3-(3,5-dimethylpyrazolyl)propane-1-thione, 1H-Pyrazole-1-propanethioamide, 3,5-dimethyl
| Molecular Formula | C8H13N3S |
|---|---|
| Molecular Weight | 183.08 g/mol |
| LogP | 1.17614 |
| Topological Polar Surface Area | 43.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08302 |
| Heavy Atoms | 12 |
| Complexity | 290.49313 |
Chemical Identifiers
| CAS Number | 956958-75-1 |
|---|---|
| SMILES | CC1=CC(=NN1CCC(=S)N)C |
Product Overview
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide (CAS 956958-75-1), with molecular formula C8H13N3S and molecular weight 183.08 g/mol. IUPAC: 3-(3,5-dimethylpyrazol-1-yl)propanethioamide.
Chemical Property Profile of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide
Property Insights of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide
The XLogP value of 1.17614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide. With a topological polar surface area (TPSA) of 43.84 Ų, 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide 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-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide?
The CAS number of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide is 956958-75-1.
What is the molecular formula of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide?
The molecular formula of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide is C8H13N3S.
What is the molecular weight of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide?
The molecular weight of 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide is 183.08 g/mol.
Where can I buy 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide?
You can request a quote for 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-dimethyl-1H-pyrazol-1-yl)propanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.