6-(Phenylthio)thymine
TL;DR: 6-(Phenylthio)thymine (CAS 136160-18-4) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
Also Known As: 6-(Phenylthio)thymine, 6PhS T, 6-(phenylthio) thymine, 5-Methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione, 5-methyl-6-(phenylthio)pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C11H10N2O2S |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.0463 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 136160-18-4 |
|---|---|
| SMILES | CC1=C(NC(=O)NC1=O)SC2=CC=CC=C2 |
| InChIKey | CTOOWBUBIRWOGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(Phenylthio)thymine (CAS 136160-18-4), with molecular formula C11H10N2O2S and molecular weight 234.05 g/mol. IUPAC: 5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 6-(Phenylthio)thymine
Property Insights of 6-(Phenylthio)thymine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Phenylthio)thymine. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Phenylthio)thymine. Following Lipinski's Rule of Five, 6-(Phenylthio)thymine 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 6-(Phenylthio)thymine?
The CAS number of 6-(Phenylthio)thymine is 136160-18-4.
What is the molecular formula of 6-(Phenylthio)thymine?
The molecular formula of 6-(Phenylthio)thymine is C11H10N2O2S.
What is the molecular weight of 6-(Phenylthio)thymine?
The molecular weight of 6-(Phenylthio)thymine is 234.05 g/mol.
Where can I buy 6-(Phenylthio)thymine?
You can request a quote for 6-(Phenylthio)thymine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Phenylthio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 6-(Phenylthio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.