2-(3,4-Dihydroxyphenyl)ethylthiourea
TL;DR: 2-(3,4-Dihydroxyphenyl)ethylthiourea (CAS 401602-53-7) is a chemical compound with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dihydroxyphenyl)ethylthiourea
Also Known As: 2-(3,4-dihydroxyphenyl)ethylthiourea, N-[2-(3,4-Dihydroxyphenyl)ethyl]thiourea, Thiourea,N-[2-(3,4-dihydroxyphenyl)ethyl]-, 4-{2-[(aminothioxomethyl)amino]ethyl}benzene-1,2-diol, Thiourea, [2-(3,4-dihydroxyphenyl)ethyl]- (9CI)
| Molecular Formula | C9H12N2O2S |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 0.4735 |
| Topological Polar Surface Area | 78.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06195 |
| Heavy Atoms | 14 |
| Complexity | 341.5839 |
Chemical Identifiers
| CAS Number | 401602-53-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCNC(=S)N)O)O |
Product Overview
2-(3,4-Dihydroxyphenyl)ethylthiourea (CAS 401602-53-7), with molecular formula C9H12N2O2S and molecular weight 212.06 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)ethylthiourea.
Chemical Property Profile of 2-(3,4-Dihydroxyphenyl)ethylthiourea
Property Insights of 2-(3,4-Dihydroxyphenyl)ethylthiourea
The XLogP value of 0.4735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroxyphenyl)ethylthiourea. The TPSA of 78.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dihydroxyphenyl)ethylthiourea. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxyphenyl)ethylthiourea has 4 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 2-(3,4-Dihydroxyphenyl)ethylthiourea?
The CAS number of 2-(3,4-Dihydroxyphenyl)ethylthiourea is 401602-53-7.
What is the molecular formula of 2-(3,4-Dihydroxyphenyl)ethylthiourea?
The molecular formula of 2-(3,4-Dihydroxyphenyl)ethylthiourea is C9H12N2O2S.
What is the molecular weight of 2-(3,4-Dihydroxyphenyl)ethylthiourea?
The molecular weight of 2-(3,4-Dihydroxyphenyl)ethylthiourea is 212.06 g/mol.
Where can I buy 2-(3,4-Dihydroxyphenyl)ethylthiourea?
You can request a quote for 2-(3,4-Dihydroxyphenyl)ethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dihydroxyphenyl)ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dihydroxyphenyl)ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.