(3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione
TL;DR: (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione (CAS 77523-78-5) is a chemical compound with molecular formula C12H13N3S and molecular weight 231.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-N-phenylpyrazole-1-carbothioamide
Also Known As: 3,5-dimethyl-N-phenylpyrazole-1-carbothioamide, 3,5-dimethyl-N-phenyl-pyrazole-1-carbothioamide, 3,5-dimethyl-N-phenyl-1H-pyrazole-1-carbothioamide, (3,5-dimethylpyrazolyl)(phenylamino)methane-1-thione
| Molecular Formula | C12H13N3S |
|---|---|
| Molecular Weight | 231.08 g/mol |
| LogP | 2.74504 |
| Topological Polar Surface Area | 29.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 231.08302 |
| Heavy Atoms | 16 |
| Complexity | 502.23737 |
Chemical Identifiers
| CAS Number | 77523-78-5 |
|---|---|
| SMILES | CC1=CC(=NN1C(=S)NC2=CC=CC=C2)C |
Product Overview
(3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione (CAS 77523-78-5), with molecular formula C12H13N3S and molecular weight 231.08 g/mol. IUPAC: 3,5-dimethyl-N-phenylpyrazole-1-carbothioamide.
Chemical Property Profile of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione
Property Insights of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione
The XLogP value of 2.74504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione. With a topological polar surface area (TPSA) of 29.85 Ų, (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione 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 (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione?
The CAS number of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione is 77523-78-5.
What is the molecular formula of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione?
The molecular formula of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione is C12H13N3S.
What is the molecular weight of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione?
The molecular weight of (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione is 231.08 g/mol.
Where can I buy (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione?
You can request a quote for (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dimethylpyrazolyl)(phenylamino)methane-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.