![1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea structure](/static/products/5128/512812-95-2.webp)
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea
TL;DR: 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea (CAS 512812-95-2) is a chemical compound with molecular formula C12H12ClN5OS and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea
Also Known As: 1-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea, 2-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-N-phenylhydrazinecarbothioamide, 2-[(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]-N~1~-PHENYL-1-HYDRAZINECARBOTHIOAMIDE
| Molecular Formula | C12H12ClN5OS |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 1.7049 |
| Topological Polar Surface Area | 70.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.0451 |
| Heavy Atoms | 20 |
| Complexity | 628.03284 |
Chemical Identifiers
| CAS Number | 512812-95-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(=O)NNC(=S)NC2=CC=CC=C2)Cl |
Product Overview
1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea (CAS 512812-95-2), with molecular formula C12H12ClN5OS and molecular weight 309.05 g/mol. IUPAC: 1-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea.
Chemical Property Profile of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea
Property Insights of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea
The XLogP value of 1.7049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea. The TPSA of 70.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea. Following Lipinski's Rule of Five, 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea has 3 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 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea?
The CAS number of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea is 512812-95-2.
What is the molecular formula of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea?
The molecular formula of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea is C12H12ClN5OS.
What is the molecular weight of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea?
The molecular weight of 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea is 309.05 g/mol.
Where can I buy 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea?
You can request a quote for 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-Chloro-1-methylpyrazole-3-carbonyl)amino]-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.