3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea
TL;DR: 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea (CAS 701276-64-4) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea
Also Known As: 3-(1,3-benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea, 3-(1,3-benzodioxol-5-yl)-1,1-diprop-2-en-1-ylthiourea, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)(diprop-2-enylamino)methane-1-thione
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.7861 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 492.21936 |
Chemical Identifiers
| CAS Number | 701276-64-4 |
|---|---|
| SMILES | C=CCN(CC=C)C(=S)NC1=CC2=C(C=C1)OCO2 |
Product Overview
3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea (CAS 701276-64-4), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea.
Chemical Property Profile of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea
Property Insights of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea
The XLogP value of 2.7861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea. With a topological polar surface area (TPSA) of 33.73 Ų, 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea has 1 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 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea?
The CAS number of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea is 701276-64-4.
What is the molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea?
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea is C14H16N2O2S.
What is the molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea?
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea is 276.09 g/mol.
Where can I buy 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea?
You can request a quote for 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-Benzodioxol-5-yl)-1,1-bis(prop-2-enyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.