6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
TL;DR: 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione (CAS 882285-54-3) is a chemical compound with molecular formula C12H10N2OS and molecular weight 230.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrimidine-2-thione
Also Known As: Maybridge4_002194, 4-(2,3-Dihydrobenzofuran-5-yl)pyrimidine-2-thiol, 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione, 6-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrimidine-2-thione, 6-coumaran-5-yl-1H-pyrimidine-2-thione
| Molecular Formula | C12H10N2OS |
|---|---|
| Molecular Weight | 230.05 g/mol |
| LogP | 2.74109 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.05139 |
| Heavy Atoms | 16 |
| Complexity | 591.5678 |
Chemical Identifiers
| CAS Number | 882285-54-3 |
|---|---|
| SMILES | C1COC2=C1C=C(C=C2)C3=CC=NC(=S)N3 |
Product Overview
6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione (CAS 882285-54-3), with molecular formula C12H10N2OS and molecular weight 230.05 g/mol. IUPAC: 6-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
Property Insights of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione
The XLogP value of 2.74109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione. With a topological polar surface area (TPSA) of 37.91 Ų, 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione 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 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione?
The CAS number of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione is 882285-54-3.
What is the molecular formula of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione?
The molecular formula of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione is C12H10N2OS.
What is the molecular weight of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione?
The molecular weight of 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione is 230.05 g/mol.
Where can I buy 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione?
You can request a quote for 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-dihydrobenzofuran-5-yl)-1H-pyrimidine-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.