1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
TL;DR: 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one (CAS 6492-89-3) is a chemical compound with molecular formula C11H10N4OS3 and molecular weight 310.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
Also Known As: 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one, 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-puri, 1,3-Dimethyl-6-sulfanylidene-8-[(thiophen-2-yl)sulfanyl]-1,3,6,7-tetrahydro-2H-purin-2-one
| Molecular Formula | C11H10N4OS3 |
|---|---|
| Molecular Weight | 310.00 g/mol |
| LogP | 2.54229 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.00168 |
| Heavy Atoms | 19 |
| Complexity | 856.56335 |
Chemical Identifiers
| CAS Number | 6492-89-3 |
|---|---|
| SMILES | CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SC3=CC=CS3 |
Product Overview
1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one (CAS 6492-89-3), with molecular formula C11H10N4OS3 and molecular weight 310.00 g/mol. IUPAC: 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one.
Chemical Property Profile of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
Property Insights of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one
The XLogP value of 2.54229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one. With a topological polar surface area (TPSA) of 55.61 Ų, 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one has 1 hydrogen bond donor(s) and 5 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 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one?
The CAS number of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one is 6492-89-3.
What is the molecular formula of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one?
The molecular formula of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one is C11H10N4OS3.
What is the molecular weight of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one?
The molecular weight of 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one is 310.00 g/mol.
Where can I buy 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one?
You can request a quote for 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-6-sulfanylidene-8-thiophen-2-ylsulfanyl-7H-purin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.