1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea
TL;DR: 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea (CAS 701950-11-0) is a chemical compound with molecular formula C14H9Cl3N2O2S and molecular weight 373.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea, (2H-benzo[3,4-d]1,3-dioxolan-5-ylamino)[(2,4,5-trichlorophenyl)amino]methane-1 -thione
| Molecular Formula | C14H9Cl3N2O2S |
|---|---|
| Molecular Weight | 373.95 g/mol |
| LogP | 5.1844 |
| Topological Polar Surface Area | 42.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.94504 |
| Heavy Atoms | 22 |
| Complexity | 755.1081 |
Chemical Identifiers
| CAS Number | 701950-11-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=CC(=C(C=C3Cl)Cl)Cl |
Product Overview
1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea (CAS 701950-11-0), with molecular formula C14H9Cl3N2O2S and molecular weight 373.95 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea
Property Insights of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea
The XLogP value of 5.1844 indicates that 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.52 Ų, 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea is 701950-11-0.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea is C14H9Cl3N2O2S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea is 373.95 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea 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-yl)-3-(2,4,5-trichlorophenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-3-(2,4,5-trichlorophenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.