(2-Phenyl-1,3-benzodioxol-5-yl)thiourea
TL;DR: (2-Phenyl-1,3-benzodioxol-5-yl)thiourea (CAS 832098-90-5) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1,3-benzodioxol-5-yl)thiourea
Also Known As: (2-phenyl-1,3-benzodioxol-5-yl)thiourea, Thiourea, (2-phenyl-1,3-benzodioxol-5-yl)-, N-(2-Phenyl-2H-1,3-benzodioxol-5-yl)thiourea, Thiourea, N-(2-phenyl-1,3-benzodioxol-5-yl)-, 3-[Nitroso(benzyloxy)amino]-N-[(benzyloxy)carbonyl]-L-alanine
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 2.8121 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 616.09796 |
Chemical Identifiers
| CAS Number | 832098-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)N |
Product Overview
(2-Phenyl-1,3-benzodioxol-5-yl)thiourea (CAS 832098-90-5), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: (2-phenyl-1,3-benzodioxol-5-yl)thiourea.
Chemical Property Profile of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea
Property Insights of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea
The XLogP value of 2.8121 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Phenyl-1,3-benzodioxol-5-yl)thiourea. With a topological polar surface area (TPSA) of 56.51 Ų, (2-Phenyl-1,3-benzodioxol-5-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Phenyl-1,3-benzodioxol-5-yl)thiourea 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 (2-Phenyl-1,3-benzodioxol-5-yl)thiourea?
The CAS number of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea is 832098-90-5.
What is the molecular formula of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea?
The molecular formula of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea is C14H12N2O2S.
What is the molecular weight of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea?
The molecular weight of (2-Phenyl-1,3-benzodioxol-5-yl)thiourea is 272.06 g/mol.
Where can I buy (2-Phenyl-1,3-benzodioxol-5-yl)thiourea?
You can request a quote for (2-Phenyl-1,3-benzodioxol-5-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenyl-1,3-benzodioxol-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenyl-1,3-benzodioxol-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.