o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
TL;DR: o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- (CAS 73909-20-3) is a chemical compound with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid
Also Known As: NCIOpen2_006369, o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-, 5-25-08-00439 (Beilstein Handbook Reference), 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid, Benzoic acid, 2-((tetrahydro-4,6-dioxo-2-thioxo-5(2H)-pyrimidinylidene)methyl)-
| Molecular Formula | C12H8N2O4S |
|---|---|
| Molecular Weight | 276.02 g/mol |
| LogP | 0.2991 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 276.02048 |
| Heavy Atoms | 19 |
| Complexity | 614.37146 |
Chemical Identifiers
| CAS Number | 73909-20-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O |
Product Overview
o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- (CAS 73909-20-3), with molecular formula C12H8N2O4S and molecular weight 276.02 g/mol. IUPAC: 2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
Property Insights of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-
The XLogP value of 0.2991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- has 3 hydrogen bond donor(s) and 4 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 o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-?
The CAS number of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- is 73909-20-3.
What is the molecular formula of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-?
The molecular formula of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- is C12H8N2O4S.
What is the molecular weight of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-?
The molecular weight of o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- is 276.02 g/mol.
Where can I buy o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-?
You can request a quote for o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(tetrahydro-4,6-dioxo-2-thioxo-5(2H)pyrimidinylidene)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.