1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea
TL;DR: 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea (CAS 52190-71-3) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxole-5-carbonylamino)-3-ethylthiourea
Also Known As: 1-(1,3-benzodioxole-5-carbonylamino)-3-ethylthiourea, J1.657.358B, 2-(1,3-benzodioxol-5-ylcarbonyl)-N-ethylhydrazinecarbothioamide, N -(Ethyliminomercaptomethyl)-3,4-methylenedioxybenzhydrazide, N-{[ethylthio(carbonoimidyl)]amino}-2H-1,3-benzodioxole-5-carboxamide
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 0.5441 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 478.6013 |
Chemical Identifiers
| CAS Number | 52190-71-3 |
|---|---|
| SMILES | CCNC(=S)NNC(=O)C1=CC2=C(C=C1)OCO2 |
Product Overview
1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea (CAS 52190-71-3), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: 1-(1,3-benzodioxole-5-carbonylamino)-3-ethylthiourea.
Chemical Property Profile of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea
Property Insights of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea
The XLogP value of 0.5441 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea has 3 hydrogen bond donor(s) and 4 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-Benzodioxole-5-carbonylamino)-3-ethylthiourea?
The CAS number of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea is 52190-71-3.
What is the molecular formula of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea?
The molecular formula of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea is C11H13N3O3S.
What is the molecular weight of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea?
The molecular weight of 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea is 267.07 g/mol.
Where can I buy 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea?
You can request a quote for 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea 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-Benzodioxole-5-carbonylamino)-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxole-5-carbonylamino)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.