![1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea structure](/static/products/693/69326-90-5.png)
1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
TL;DR: 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea (CAS 69326-90-5) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
Also Known As: 4-(3-Tolyl)-1-(2,3,4-trihydroxyacetophenone)-3-thiosemicarbazone
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.82242 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 775.16095 |
Chemical Identifiers
| CAS Number | 69326-90-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=C(C(=C(C=C2)O)O)O |
Product Overview
1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea (CAS 69326-90-5), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 1-(3-methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea.
Chemical Property Profile of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
Property Insights of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea
The XLogP value of 2.82242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea has 5 hydrogen bond donor(s) and 5 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-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea?
The CAS number of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea is 69326-90-5.
What is the molecular formula of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea?
The molecular formula of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea is C16H17N3O3S.
What is the molecular weight of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea?
The molecular weight of 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea is 331.10 g/mol.
Where can I buy 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea?
You can request a quote for 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-3-[1-(2,3,4-trihydroxyphenyl)ethylideneamino]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.