2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-
TL;DR: 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- (CAS 63704-52-9) is a chemical compound with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid
Also Known As: USAF K-2598, 4- benzenesulfonicacid, 1-(p-Sulfophenyl)-2-thio-4,4,6-trimethyl dihydropyrimidine, 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-, 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(p-sulfophenyl)-4,4,6-trimethyl-
| Molecular Formula | C13H16N2O3S2 |
|---|---|
| Molecular Weight | 312.06 g/mol |
| LogP | 2.3102 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06024 |
| Heavy Atoms | 20 |
| Complexity | 676.07275 |
Chemical Identifiers
| CAS Number | 63704-52-9 |
|---|---|
| SMILES | CC1=CC(NC(=S)N1C2=CC=C(C=C2)S(=O)(=O)O)(C)C |
Product Overview
2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- (CAS 63704-52-9), with molecular formula C13H16N2O3S2 and molecular weight 312.06 g/mol. IUPAC: 4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)benzenesulfonic acid.
Chemical Property Profile of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-
Property Insights of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-
The XLogP value of 2.3102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-. Following Lipinski's Rule of Five, 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- 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(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-?
The CAS number of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- is 63704-52-9.
What is the molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-?
The molecular formula of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- is C13H16N2O3S2.
What is the molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-?
The molecular weight of 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- is 312.06 g/mol.
Where can I buy 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-?
You can request a quote for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(1H)-Pyrimidinethione, 3,4-dihydro-4,4,6-trimethyl-1-(p-sulfophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.