6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-
TL;DR: 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- (CAS 91725-06-3) is a chemical compound with molecular formula C7H8N4OS and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-2-sulfanylidene-7H-purin-6-one
Also Known As: 3,8-dimethyl-2-sulfanylidene-7H-purin-6-one, 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-, 3,8-Dimethyl-2-thioxo-2,3-dihydro-1H-purin-6(7H)-one, 6H-Purin-6-one,1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo, 3,8-Dimethyl-2-sulfanylidene-1,2,3,7-tetrahydro-6H-purin-6-one
| Molecular Formula | C7H8N4OS |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.62761 |
| Topological Polar Surface Area | 66.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.04189 |
| Heavy Atoms | 13 |
| Complexity | 576.17053 |
Chemical Identifiers
| CAS Number | 91725-06-3 |
|---|---|
| SMILES | CC1=NC2=C(N1)C(=O)NC(=S)N2C |
Product Overview
6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- (CAS 91725-06-3), with molecular formula C7H8N4OS and molecular weight 196.04 g/mol. IUPAC: 3,8-dimethyl-2-sulfanylidene-7H-purin-6-one.
Chemical Property Profile of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-
Property Insights of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-
The XLogP value of 0.62761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-. The TPSA of 66.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-. Following Lipinski's Rule of Five, 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- 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 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-?
The CAS number of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- is 91725-06-3.
What is the molecular formula of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-?
The molecular formula of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- is C7H8N4OS.
What is the molecular weight of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-?
The molecular weight of 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- is 196.04 g/mol.
Where can I buy 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-?
You can request a quote for 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo-?
Yes, KEHONG BIO provides custom synthesis services for 6H-Purin-6-one, 1,2,3,7-tetrahydro-3,8-dimethyl-2-thioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.