1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea
TL;DR: 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea (CAS 59814-89-0) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-ylmethyl)-3-methylthiourea
Also Known As: 1-(1,3-benzodioxol-5-ylmethyl)-3-methylthiourea, 1-benzo[1,3]dioxol-5-ylmethyl-3-methyl-thiourea, [(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)amino](methylamino)methane-1-thione
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.0092 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 381.68518 |
Chemical Identifiers
| CAS Number | 59814-89-0 |
|---|---|
| SMILES | CNC(=S)NCC1=CC2=C(C=C1)OCO2 |
Product Overview
1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea (CAS 59814-89-0), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-ylmethyl)-3-methylthiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea
Property Insights of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea
The XLogP value of 1.0092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea has 2 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-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea?
The CAS number of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea is 59814-89-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea is C10H12N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea is 224.06 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-ylmethyl)-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-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-ylmethyl)-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.