5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil
TL;DR: 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil (CAS 136160-39-9) is a chemical compound with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-1-(2-methylpropyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one
Also Known As: HEPT deriv., 1-i-Bu-6PhS-5Et2thio U, 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil, 5-ethyl-1-(2-methylpropyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one, 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C16H20N2OS2 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 4.27549 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.1017 |
| Heavy Atoms | 21 |
| Complexity | 717.29224 |
Chemical Identifiers
| CAS Number | 136160-39-9 |
|---|---|
| SMILES | CCC1=C(N(C(=S)NC1=O)CC(C)C)SC2=CC=CC=C2 |
Product Overview
5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil (CAS 136160-39-9), with molecular formula C16H20N2OS2 and molecular weight 320.10 g/mol. IUPAC: 5-ethyl-1-(2-methylpropyl)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil
Property Insights of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil
The XLogP value of 4.27549 indicates that 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil 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 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil?
The CAS number of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil is 136160-39-9.
What is the molecular formula of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil?
The molecular formula of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil is C16H20N2OS2.
What is the molecular weight of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil?
The molecular weight of 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil is 320.10 g/mol.
Where can I buy 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil?
You can request a quote for 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-1-isobutyl-6-(phenylthio)-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.