1-Butyl-6-(phenylthio)thymine
TL;DR: 1-Butyl-6-(phenylthio)thymine (CAS 136160-21-9) is a chemical compound with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione
Also Known As: 1-Bu6PhS T, 1-Butyl-6-(phenylthio)thymine, 1-butyl-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione, 1-butyl-5-methyl-6-phenylsulfanyl-pyrimidine-2,4-dione, 1-Butyl-5-methyl-6-phenylsulfanyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C15H18N2O2S |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.1089 |
| Heavy Atoms | 20 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 136160-21-9 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC=C2 |
| InChIKey | LRAWIWVJQCNVJX-UHFFFAOYSA-N |
Product Overview
1-Butyl-6-(phenylthio)thymine (CAS 136160-21-9), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: 1-butyl-5-methyl-6-phenylsulfanylpyrimidine-2,4-dione.
Chemical Property Profile of 1-Butyl-6-(phenylthio)thymine
Property Insights of 1-Butyl-6-(phenylthio)thymine
The XLogP value of 3.1 indicates that 1-Butyl-6-(phenylthio)thymine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-6-(phenylthio)thymine. Following Lipinski's Rule of Five, 1-Butyl-6-(phenylthio)thymine has 1 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 1-Butyl-6-(phenylthio)thymine?
The CAS number of 1-Butyl-6-(phenylthio)thymine is 136160-21-9.
What is the molecular formula of 1-Butyl-6-(phenylthio)thymine?
The molecular formula of 1-Butyl-6-(phenylthio)thymine is C15H18N2O2S.
What is the molecular weight of 1-Butyl-6-(phenylthio)thymine?
The molecular weight of 1-Butyl-6-(phenylthio)thymine is 290.11 g/mol.
Where can I buy 1-Butyl-6-(phenylthio)thymine?
You can request a quote for 1-Butyl-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 1-Butyl-6-(phenylthio)thymine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-6-(phenylthio)thymine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.