![1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea structure](/static/products/6129/61290-93-5.webp)
1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea
TL;DR: 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea (CAS 61290-93-5) is a chemical compound with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-enylthiourea
Also Known As: AB00013272-01, 1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-enylthiourea, Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-2-propenyl-, 1-[(3,4-dimethoxyphenyl)methyl]-3-(prop-2-en-1-yl)thiourea, N-[(3,4-Dimethoxyphenyl)methyl]-N'-(prop-2-en-1-yl)thiourea
| Molecular Formula | C13H18N2O2S |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 1.8539 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 266.1089 |
| Heavy Atoms | 18 |
| Complexity | 421.4523 |
Chemical Identifiers
| CAS Number | 61290-93-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC(=S)NCC=C)OC |
Product Overview
1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea (CAS 61290-93-5), with molecular formula C13H18N2O2S and molecular weight 266.11 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-3-prop-2-enylthiourea.
Chemical Property Profile of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea
Property Insights of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea
The XLogP value of 1.8539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea. With a topological polar surface area (TPSA) of 42.52 Ų, 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea 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-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea?
The CAS number of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea is 61290-93-5.
What is the molecular formula of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea?
The molecular formula of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea is C13H18N2O2S.
What is the molecular weight of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea?
The molecular weight of 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea is 266.11 g/mol.
Where can I buy 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea?
You can request a quote for 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4-Dimethoxyphenyl)methyl]-3-prop-2-enylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.