1-(3-Cyano-4-methylphenyl)-3-methylthiourea
TL;DR: 1-(3-Cyano-4-methylphenyl)-3-methylthiourea (CAS 306729-97-5) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-cyano-4-methylphenyl)-3-methylthiourea
Also Known As: 1-(3-cyano-4-methylphenyl)-3-methylthiourea, N-(3-cyano-4-methylphenyl)-N'-methylthiourea, 1-(3-cyano-4-methyl-phenyl)-3-methyl-thiourea, AA-768/31128048
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 306729-97-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=S)NC)C#N |
| InChIKey | CLDNZFYJAOICRU-UHFFFAOYSA-N |
Product Overview
1-(3-Cyano-4-methylphenyl)-3-methylthiourea (CAS 306729-97-5), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 1-(3-cyano-4-methylphenyl)-3-methylthiourea.
Chemical Property Profile of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea
Property Insights of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Cyano-4-methylphenyl)-3-methylthiourea. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Cyano-4-methylphenyl)-3-methylthiourea. Following Lipinski's Rule of Five, 1-(3-Cyano-4-methylphenyl)-3-methylthiourea has 2 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 1-(3-Cyano-4-methylphenyl)-3-methylthiourea?
The CAS number of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea is 306729-97-5.
What is the molecular formula of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea?
The molecular formula of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea is C10H11N3S.
What is the molecular weight of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea?
The molecular weight of 1-(3-Cyano-4-methylphenyl)-3-methylthiourea is 205.07 g/mol.
Where can I buy 1-(3-Cyano-4-methylphenyl)-3-methylthiourea?
You can request a quote for 1-(3-Cyano-4-methylphenyl)-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Cyano-4-methylphenyl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Cyano-4-methylphenyl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.